subject:(Ligands Biochemistry )

1. Murlidaran, Sruthi. Mechanisms underlying effects of genetic variance and general anesthetics on pentameric ligand-gated ion channels.

Degree: PhD, Computational and Integrative Biology, 2018, Rutgers University

URL: https://rucore.libraries.rutgers.edu/rutgers-lib/57080/

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Two main projects involving molecular dynamics simulation of GABAAR and a collaborative project involving simulations of GLIC receptor are presented in this thesis. The first… (more)

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Two main projects involving molecular dynamics simulation of GABAAR and a collaborative project involving simulations of GLIC receptor are presented in this thesis. The first project involves analyzing and comparing the conformational and functional changes between WT and K289M GABAAR receptor. The second project involves calculating binding affinity for propofol, an intravenous anesthetic, at sites identified experimentally and verified using MD simulations in GABAAR receptor. With comparatively lesser experimental knowledge for binding sites of sevoflurane, we use flooding simulation in addition to MD simulations to find exact binding sites and understand the pathway of binding. The third project involved running MD simulations of a prokaryotic pLGIC, GLIC, a bacterial proton-gated homolog, to understand how the lipid-facing M4 helix modulates channel function. Pentameric ligand-gated ion channels mediate chemical transmission of nerve signals, when an agonist binds the ECD of the channel, leading to pore opening in the TMD. While various crystal structure of these channels has provided extensive information regarding the neurotransmitter binding sites, open/close conformations, it is still challenging to understand the microscopic interaction that drives this allosteric transition between the ECD to TMD. Molecular dynamics is an effective technique in guiding us to take a closer look at the residue level interactions. Using MD, we show how the difference in electrostatic interactions at the ECD-TMD in GABAAR interface causes the channel to open in case of the WT and destabilize the open state in case of the K289M. Similar computational approaches reveal lipid penetration disrupting the interactions within the TMD helices of the 5ALA-GLIC mutant receptor which validates the reduced channel function in these receptors, as identified by experimentalists. In addition to traditional MD simulations, biased computational techniques, like AFEP helped us isolate putative binding sites, and quantify and rank binding affinities for two commonly used intravenous (Propofol) and inhalational (Sevoflurane) anesthetic, that has experimentally shown to target GABAAR receptors. Furthermore, we are able to compare and explain the protein-anesthetic interactions that cause their affinities to different binding sites in the receptor.

Advisors/Committee Members: Brannigan, Grace (chair), Martin, Joseph (internal member), Zhu, Hao (internal member), Carnevale, Vincenzo (outside member).

Subjects/Keywords: Ligands (Biochemistry)

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APA (6^th Edition):

Murlidaran, S. (2018). Mechanisms underlying effects of genetic variance and general anesthetics on pentameric ligand-gated ion channels. (Doctoral Dissertation). Rutgers University. Retrieved from https://rucore.libraries.rutgers.edu/rutgers-lib/57080/

Chicago Manual of Style (16^th Edition):

Murlidaran, Sruthi. “Mechanisms underlying effects of genetic variance and general anesthetics on pentameric ligand-gated ion channels.” 2018. Doctoral Dissertation, Rutgers University. Accessed February 27, 2021. https://rucore.libraries.rutgers.edu/rutgers-lib/57080/.

MLA Handbook (7^th Edition):

Murlidaran, Sruthi. “Mechanisms underlying effects of genetic variance and general anesthetics on pentameric ligand-gated ion channels.” 2018. Web. 27 Feb 2021.

Vancouver:

Murlidaran S. Mechanisms underlying effects of genetic variance and general anesthetics on pentameric ligand-gated ion channels. [Internet] [Doctoral dissertation]. Rutgers University; 2018. [cited 2021 Feb 27]. Available from: https://rucore.libraries.rutgers.edu/rutgers-lib/57080/.

Council of Science Editors:

Murlidaran S. Mechanisms underlying effects of genetic variance and general anesthetics on pentameric ligand-gated ion channels. [Doctoral Dissertation]. Rutgers University; 2018. Available from: https://rucore.libraries.rutgers.edu/rutgers-lib/57080/

Nelson Mandela Metropolitan University

2. Potgieter, Kim Carey. Rhenium complexes with multidentate benzazoles and related N,X-donor (X = N, O, S) ligands.

Degree: PhD, Faculty of Science, 2012, Nelson Mandela Metropolitan University

URL: http://hdl.handle.net/10948/d1020773

► The coordination behaviour of 4-aminoantipyrine (H2pap) and its Schiff base derivatives with the oxorhenium(V) and tricarbonyl rhenium(I) cores are reported. The reactions of trans-[ReOX3(PPh3)2] (X… (more)

▼ The coordination behaviour of 4-aminoantipyrine (H2pap) and its Schiff base derivatives with the oxorhenium(V) and tricarbonyl rhenium(I) cores are reported. The reactions of trans-[ReOX3(PPh3)2] (X = Cl, Br) with H2pap were studied, and the complexes cis-[ReX2(pap)(H2pap)(PPh3)](ReO4) were isolated. The ligand pap is coordinated monodentately through the doubly deprotonated amino nitrogen as an imide, and H2pap acts as a neutral bidentate chelate, with coordination through the neutral amino nitrogen and the ketonic oxygen. The reactions of trans-[ReOBr3(PPh3)2] and cis-[ReO2I(PPh3)2] with -(2-aminobenzylideneamino)-1,2-dihydro-2,3-dimethyl-1-phenylpyrazol-5-one (H2nap) and 4-(2-hydroxybenzylideneamino)-1,2-dihydro-2,3-dimethyl-1-phenylpyrazol-5-one (Hoap) are also reported. The complexes cis-[Re(nap)Br2(PPh3)]Br, [ReO(OEt)(Hnap)(PPh3)]I and [ReO(OMe)(oap)(PPh3)]I were isolated and structurally characterized. The reactions of the Schiff base derivatives 1,2-(diimino-4’-antipyrinyl)ethane (dae) and 2,6-bis(4-amino-1,2-dihydro-2,3-dimethyl-1-phenylpyrazol-5-one)pyridine (bap) with [Re(CO)5X] (X = Br or Cl) produced fac-[Re(CO)3(dae)Cl] and fac-[Re(CO)3(bap)Br] respectively. A series of rhenium(I) tricarbonyl complexes containing bidentate derivatives of aniline was synthesized and structurally characterized. With 1,2-diaminobenzene (Hpda) the ‘2+1’ complex salt fac-[Re(CO)3(κ1-Hpda)(κ2-Hpda)]Br was isolated, but with 2-mercaptophenol (Hspo) the bridged dimer [Re2(CO)7(spo)2] was found. The neutral complex [Re(CO)3(ons)(Hno)] was isolated from the reaction of [Re(CO)5Br] with 2-[(2-methylthio)benzylideneimino]phenol (Hons; Hno = 2-aminophenol), with ons coordinated as a bidentate chelate with a free SCH3 group. In the complex [Re(CO)3(Htpn)Br] (Htpn = N-(2-(methylthio)benzylidene)benzene-1,2-diamine) the potentially tridentate ligand Htpn is coordinated via the methylthiol sulfur and imino nitrogen atoms only, with a free amino group. These rhenium(I) complexes, with the exception of [Re2(CO)7(spo)2], revealed broad emissions centred around 535 nm. The reactions of the rhenium(V) complex cis-[ReO2I(PPh3)2] with 2-aminothiophenol (H2atp), benzene-1,2-dithiol (H2tdt) and 2-hydroxybenzenethiol (H2otp) led to the formation of the rhenium(III) compounds [Re(Hatp)(ibsq)2].OPPh3, [Re(sbsq)3].OPPh3 and [Re(obsq)3].OPPh3 (ibsq = 2-iminothiobenzosemiquinonate, sbsq = 1,2-dithiobenzosemiquinonate, obsq = 2-hydroxothiobenzosemiquinonate) respectively. The complexes adopt a trigonal prismatic geometry around the rhenium centre with average twists angles between 3.20-26.10˚. The E1/2 values for the Re(III)/Re(IV) redox couple were found to be 0.022, 0.142 and 0.126 V for [Re(Hatp)(ibsq)2].OPPh3, [Re(sbsq)3].OPPh3 and [Re(obsq)3].OPPh3 respectively. The reactions of the benzoxazole ligands, 3-(benzoxazol-2-yl)pyridin-2-ol (Hbop) and 5-amino-2-(benzoxazol-2-yl)phenol (Habo) with a [ReO]3+ precursor led to the rhenium(III) complex, [ReCl2(bop)(PPh3)2], and the complex salt, [ReO(abo)I(PPh3)2]ReO4, respectively. A variety of…

Subjects/Keywords: Rhenium; Benzimidazoles; Ligands (Biochemistry)

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APA (6^th Edition):

Potgieter, K. C. (2012). Rhenium complexes with multidentate benzazoles and related N,X-donor (X = N, O, S) ligands. (Doctoral Dissertation). Nelson Mandela Metropolitan University. Retrieved from http://hdl.handle.net/10948/d1020773

Chicago Manual of Style (16^th Edition):

Potgieter, Kim Carey. “Rhenium complexes with multidentate benzazoles and related N,X-donor (X = N, O, S) ligands.” 2012. Doctoral Dissertation, Nelson Mandela Metropolitan University. Accessed February 27, 2021. http://hdl.handle.net/10948/d1020773.

MLA Handbook (7^th Edition):

Potgieter, Kim Carey. “Rhenium complexes with multidentate benzazoles and related N,X-donor (X = N, O, S) ligands.” 2012. Web. 27 Feb 2021.

Vancouver:

Potgieter KC. Rhenium complexes with multidentate benzazoles and related N,X-donor (X = N, O, S) ligands. [Internet] [Doctoral dissertation]. Nelson Mandela Metropolitan University; 2012. [cited 2021 Feb 27]. Available from: http://hdl.handle.net/10948/d1020773.

Council of Science Editors:

Potgieter KC. Rhenium complexes with multidentate benzazoles and related N,X-donor (X = N, O, S) ligands. [Doctoral Dissertation]. Nelson Mandela Metropolitan University; 2012. Available from: http://hdl.handle.net/10948/d1020773

University of Johannesburg

3. Shaw, Megan Lorraine. Pd catalysed C-C bond forming and carbonylation.

Degree: 2012, University of Johannesburg

URL: http://hdl.handle.net/10210/4689

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M.Sc.

This study initially focused on the synthesis of a set of triaryl phosphine ligands, encompassing a broad range of electron withdrawing functionalities on the… (more)

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M.Sc.

This study initially focused on the synthesis of a set of triaryl phosphine ligands, encompassing a broad range of electron withdrawing functionalities on the ortho-position of one of the aryl rings. These varying moieties were readily incorporated into diphenylphosphino benzaldehyde as starting material through both Wittig and Knoevenagel chemistry. The ligands produced were tested in the Pd-catalysed Suzuki reaction. The electronic as well as the steric nature of the alkene ligands largely dictated the activities observed: the more electron poor or the bulkier the ligand, the higher the activity observed in the Suzuki reaction. This is in contrast to much work in the literature stating that highly active Suzuki catalysts require a very electron rich system. At the same time, the literature indicates that co-ordinatively unsaturated Pd-complexes are also active catalysts. The activities observed were ascribed to the ability of these electron poor bulky phosphine alkene ligands to stabilise or promote the reductive elimination step of the Suzuki mechanism in preference to the oxidative addition step, which is the typical rate determining step. The study then investigated carbonylation reactions, specifically the methoxycarbonylation and hydrocarboxylation reactions, which are typically Brønsted acid co-catalysed. The alternative was the first time use of metal-triflate based Lewis acids as co-catalysts in these types of reactions. Thus, a systematic study was performed. It was found that metal trifluoromethane sulfonate (hereafter referred to as triflate) based Lewis acid co-catalysts outperformed the typical Brønsted acid co-catalysts by between one and a half to two and a half times on the rate of the methoxycarbonylation reaction, depending on the substrate used. The system was tested with Pd loadings in the region 2–0.03 mol%. A competing heat-induced styrene polymerisation reaction ultimately affected the results at such low Pd loadings. A low level kinetic analysis was performed indicating zero order kinetics on the alkene concentration of the reaction, with a fractional order dependence on the Lewis acid concentration. There was little to no effect on the linear/branched ratio of the product in response to the use of the Lewis acid. The nature of the metal within the metal triflate based co-catalyst also seemed to be critical to the reaction, with the 4+ based Zr and Hf ultimately providing the highest obtainable turn over frequencies, the 1+ and 2+ based metals providing no conversion, and reactivity in the presence of the 3+ metals depended on the specifics of the reaction. In addition to a great deal of work being performed on styrene and ethylene as substrates, reactions using phenylacetylene were also optimised. Here, it was found that the bidentate BINAP ligand and the literature preferred ligand, PyPPh2 afforded good catalyst activity. Both of these ligands offered much faster catalyst systems than PPh3 and various other bidentate ligands tested.

Subjects/Keywords: Phosphine; Carbonyl compounds; Ligands (Biochemistry)

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APA (6^th Edition):

Shaw, M. L. (2012). Pd catalysed C-C bond forming and carbonylation. (Thesis). University of Johannesburg. Retrieved from http://hdl.handle.net/10210/4689

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Shaw, Megan Lorraine. “Pd catalysed C-C bond forming and carbonylation.” 2012. Thesis, University of Johannesburg. Accessed February 27, 2021. http://hdl.handle.net/10210/4689.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Shaw, Megan Lorraine. “Pd catalysed C-C bond forming and carbonylation.” 2012. Web. 27 Feb 2021.

Vancouver:

Shaw ML. Pd catalysed C-C bond forming and carbonylation. [Internet] [Thesis]. University of Johannesburg; 2012. [cited 2021 Feb 27]. Available from: http://hdl.handle.net/10210/4689.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Shaw ML. Pd catalysed C-C bond forming and carbonylation. [Thesis]. University of Johannesburg; 2012. Available from: http://hdl.handle.net/10210/4689

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Hong Kong University of Science and Technology

4. Wang, Guo Cang. Metal complexes with bidentate and tridentate P=O ligands.

Degree: 2011, Hong Kong University of Science and Technology

URL: http://repository.ust.hk/ir/Record/1783.1-7307 ; https://doi.org/10.14711/thesis-b1155264 ; http://repository.ust.hk/ir/bitstream/1783.1-7307/1/th_redirect.html

► Oxidation of Ce(tipip)3 [tipip = N(Pri2PO)2] by PhICl2 afforded Ce(tipip)3Cl which could also be synthesized by the reaction of [Et4N]2CeCl6 with 3 equivalents of K(tipip).… (more)

▼ Oxidation of Ce(tipip)3 [tipip = N(Pri2PO)2] by PhICl2 afforded Ce(tipip)3Cl which could also be synthesized by the reaction of [Et4N]2CeCl6 with 3 equivalents of K(tipip). Chloride substitution of Ce(tipip)3Cl with AgX [X- = acetate (OAc-), tosylate (OTs-), triflate (OTf-) and N3-] afforded Ce(tipip)3X. Treatment of [Et4N]2CeCl6 with 2 equivalents of K(tipip) followed by treatment with Ag2O resulted in the formation of the μ-oxo complex Ce2(tipip)2Cl2(μ-tipip)2(μ-O) (12) characterized by X-ray crystallography. The Ce-O average distance and the Ce-O-Ce angle in 12 are 2.087(2) Å and 146.73(11)º, respectively. Treatment of H(tipip) with Ce2(OPri)8(HOPri)2 or Zr(OBut)4 afforded the dinuclear peroxo complexes [M(tipip)2(O2)]2 (M = Ce or Zr) which have been characterized by X-ray crystallography. The titanium oxo [Ti2(tipip)4(μ-O)2] and peroxo [Ti(tipip)2(η2-O2)] complexes have been synthesized from Ti(OPri)2Cl2 and K(tipip). Treatment of Ce(tipip)3Cl with AgMnO4 or KMnO4 in MeCN afforded [Ce(tipip)3]2[MnO4]2 (18), which is stable in MeCN but decomposes readily in non-polar solvents such as CH2Cl2 and benzene. 18 can oxidize alkylbenzenes and cyclohexane to give the corresponding alcohol/ketone products. The oxidation of ethylbenzene by 18 showed clean pseudo-first-order kinetics. Treatment of Ce(tipip)3(OTf) with [nBu4N]2[MoO4] afforded Ce2(tipip)6(μ-MoO4) which can catalyze the oxidation of organic sulfides with tBuOOH in high yield and selectivity. Treatment of BiCl3 with NaLOEt [LOEt- = [(η5-C5H5){CoP(O)(OEt)2}3]-] afforded Bi(LOEt)Cl2 which reacted with AgX to give [Bi(LOEt)X2]2 [X- = tosylate (OTs-), triflate (OTf-)]. Treatment of [Bi(LOEt)(OTs)2]2 with Na2Cr2O7 afforded the heterometallic Bi(III)/Cr(VI) oxo cluster [Bi4(LOEt)4(μ3-Cr2O7)2(μ3-CrO4)2] (31) featuring a novel Bi4Cr4O12 oxometallic core. Treatment of 31 with CrO3 afforded the trichromate complex Bi2(LOEt)2(μ2,η4-Cr3O10)2. Treatment of Bi(LOEt)Cl2 with CrO3 afforded [Bi(LOEt)(μ-Cl)(CrO3Cl)]2. Organobismuth(III) complexes with LOEt- ligands {(CH3)N(CH2C6H4)2}Bi(η1-LOEt) have been synthesized. Reaction of [Ru(PPh3)3Cl2] or [Ru(η6-cymene)Cl2]2 with K(tipip) afforded [Ru(tipip)(PPh3)2Cl] and [Ru(η6-cymene)(tipip)Cl], respectively. Treatment of [Ru(CO)2Cl2]x with K(tipip) afforded [Ru2(tipip)2(CO)2(μ-CO)2]. Reaction of [Ru(=CHPh)(PCy3)2Cl2] with Tl(tipip) yielded [Ru(=CHPh)(tipip)(PCy3)Cl] which can catalyze the ring-closing metathesis of diethyl 1,2-diallylmalonate. Treatment of Li(P,Se) [H(P,Se) = Pri2P(Se)NP(H)Pri2] with [Rh(COD)Cl]2 (COD = 1,5-cyclooctadiene), RhCl(PPh3)3 and RhCl(CO)(PPh3)2 afforded Rh(P,Se)(COD), Rh(P,Se)(PPh3)2 and Rh(P,Se)(CO)(PPh3), respectively. Treatment of Li(P,Se) with [M(COE)Cl]2 (M = Rh, Ir; COE = cyclooctene) afforded the hydride complexes M(H)(P,Se)2 which reacted with HBF4 or HCl to give Rh{H(P,Se)}2[BF4] and Ir(H){H(P,Se)}2Cl2, respectively.

Subjects/Keywords: Metal complexes – Synthesis ; Ligands (Biochemistry)

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APA (6^th Edition):

Wang, G. C. (2011). Metal complexes with bidentate and tridentate P=O ligands. (Thesis). Hong Kong University of Science and Technology. Retrieved from http://repository.ust.hk/ir/Record/1783.1-7307 ; https://doi.org/10.14711/thesis-b1155264 ; http://repository.ust.hk/ir/bitstream/1783.1-7307/1/th_redirect.html

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Wang, Guo Cang. “Metal complexes with bidentate and tridentate P=O ligands.” 2011. Thesis, Hong Kong University of Science and Technology. Accessed February 27, 2021. http://repository.ust.hk/ir/Record/1783.1-7307 ; https://doi.org/10.14711/thesis-b1155264 ; http://repository.ust.hk/ir/bitstream/1783.1-7307/1/th_redirect.html.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Wang, Guo Cang. “Metal complexes with bidentate and tridentate P=O ligands.” 2011. Web. 27 Feb 2021.

Vancouver:

Wang GC. Metal complexes with bidentate and tridentate P=O ligands. [Internet] [Thesis]. Hong Kong University of Science and Technology; 2011. [cited 2021 Feb 27]. Available from: http://repository.ust.hk/ir/Record/1783.1-7307 ; https://doi.org/10.14711/thesis-b1155264 ; http://repository.ust.hk/ir/bitstream/1783.1-7307/1/th_redirect.html.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Wang GC. Metal complexes with bidentate and tridentate P=O ligands. [Thesis]. Hong Kong University of Science and Technology; 2011. Available from: http://repository.ust.hk/ir/Record/1783.1-7307 ; https://doi.org/10.14711/thesis-b1155264 ; http://repository.ust.hk/ir/bitstream/1783.1-7307/1/th_redirect.html

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of North Carolina – Greensboro

5. Lawrence, Lyle. Ligand binding to G protein-coupled receptors (GPCRs) 1. 1,8-naphthyridine analogs binding to the cannabinoid CB2 receptor 2. Pharmacophore model development for aminoalkylindole binding to a novel GPCR.

Degree: 2014, University of North Carolina – Greensboro

URL: http://libres.uncg.edu/ir/listing.aspx?styp=ti&id=16580

► G-protein coupled receptors (GPCRs) are transmembrane receptors found in eukaryotes that control many cellular signaling events. The cannabinoid receptors, CB1 and CB2, are both GPCRs.… (more)

▼ G-protein coupled receptors (GPCRs) are transmembrane receptors found in eukaryotes that control many cellular signaling events. The cannabinoid receptors, CB1 and CB2, are both GPCRs. These are the receptors that are activated by Δ9-THC, the principal psychoactive compound in marijuana. CB1 is found mainly in neuronal cells and its activation is thought to lead to the negative, psychoactive side effects of marijuana. CB2 is found in immune cells and in small concentrations in brain tissue. Beneficial effects of activating the cannabinoid receptors include reduction in intraocular pressure, analgesia, antiemesis, and effects on bone density. Designing a drug that can selectively activate CB2, without activating CB1 should lead to analgesia without the negative side effects of CB1. Recent studies have shown the potential of CB2 in treating neurodegenerative diseases such as Parkinson's and Alzheimer's; increasing the importance for developing CB2 selective drugs. Analogs were developed using the 1,8-naphthyridine scaffold that are selective for CB2. These analogs had different activities at CB2 based on their structures. One goal of my thesis project was to develop a model for the binding of 1,8-naphthyridine analogs binding at CB2 and to develop a hypothesis concerning the structural requirements for their production of agonism or antagonism at CB2. The analogs were synthesized and tested by our collaborator, Dr. Clementina Manera at the University of Pisa. Computational modeling techniques were used to generate conformations of the 1,8-naphthyridine compounds. An automated docking program, Glide, was used to generate the ligand-receptor complexes. The model showed that the presence of a substituent at the C-6 position of the 1,8-naphthyridine ring prevents CB2 from adopting an activated state. Project 2. Aminoalkylindole Pharmacophore Model A second goal of my thesis was to develop a pharmacophore model for the newly discovered aminoalkylindole (AAI) receptor. WIN 55212-2 is the prototypical aminoalkylindole (AAI) and is known to act as an agonist at both CB1 and CB2. Recently, our collaborator, Dr. Nephi Stella (University of Washington) discovered that WIN 55212-2 and other AAI compounds bind to a non-CB GPCR found in HEK 293 and T98G cells. AAI analogs were developed to generate a structure activity relationship (SAR). These analogs and their binding data were used to generate a pharmacophore model that explains how these AAI compounds are binding to this new receptor. A pharmacophore model is a set of chemical features and their spatial arrangement that explains how a set of compounds bind to a protein. Computational modeling techniques were used to generate conformations of the AAI compounds. The pharmacophore model was developed in PHASE (Schrodinger, Inc.) using a conformational approach on a set of active compounds. The pharmacophore model shows the importance of four aromatic features, a hydrogen bond acceptor feature, and a hydrophobic feature corresponding to the C-2 position of the indole ring.;… Advisors/Committee Members: Patrica Reggio (advisor).

Subjects/Keywords: G proteins – Receptors; Ligands (Biochemistry)

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APA (6^th Edition):

Lawrence, L. (2014). Ligand binding to G protein-coupled receptors (GPCRs) 1. 1,8-naphthyridine analogs binding to the cannabinoid CB2 receptor 2. Pharmacophore model development for aminoalkylindole binding to a novel GPCR. (Masters Thesis). University of North Carolina – Greensboro. Retrieved from http://libres.uncg.edu/ir/listing.aspx?styp=ti&id=16580

Chicago Manual of Style (16^th Edition):

Lawrence, Lyle. “Ligand binding to G protein-coupled receptors (GPCRs) 1. 1,8-naphthyridine analogs binding to the cannabinoid CB2 receptor 2. Pharmacophore model development for aminoalkylindole binding to a novel GPCR.” 2014. Masters Thesis, University of North Carolina – Greensboro. Accessed February 27, 2021. http://libres.uncg.edu/ir/listing.aspx?styp=ti&id=16580.

MLA Handbook (7^th Edition):

Lawrence, Lyle. “Ligand binding to G protein-coupled receptors (GPCRs) 1. 1,8-naphthyridine analogs binding to the cannabinoid CB2 receptor 2. Pharmacophore model development for aminoalkylindole binding to a novel GPCR.” 2014. Web. 27 Feb 2021.

Vancouver:

Lawrence L. Ligand binding to G protein-coupled receptors (GPCRs) 1. 1,8-naphthyridine analogs binding to the cannabinoid CB2 receptor 2. Pharmacophore model development for aminoalkylindole binding to a novel GPCR. [Internet] [Masters thesis]. University of North Carolina – Greensboro; 2014. [cited 2021 Feb 27]. Available from: http://libres.uncg.edu/ir/listing.aspx?styp=ti&id=16580.

Council of Science Editors:

Lawrence L. Ligand binding to G protein-coupled receptors (GPCRs) 1. 1,8-naphthyridine analogs binding to the cannabinoid CB2 receptor 2. Pharmacophore model development for aminoalkylindole binding to a novel GPCR. [Masters Thesis]. University of North Carolina – Greensboro; 2014. Available from: http://libres.uncg.edu/ir/listing.aspx?styp=ti&id=16580

Michigan State University

6. Pan, Li-Li. Computational chemistry studies of prenyltransferases and small ligands.

Degree: 2015, Michigan State University

URL: http://etd.lib.msu.edu/islandora/object/etd:3650

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Thesis Ph. D. Michigan State University. Chemistry 2015

In this dissertation computational chemistry methods were applied to study the properties of prenyltransferase FtmPT1 and small… (more)

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Thesis Ph. D. Michigan State University. Chemistry 2015

In this dissertation computational chemistry methods were applied to study the properties of prenyltransferase FtmPT1 and small ligand conformational changes. First, I have done thorough investigations on FtmPT1 enzyme catalysis by the quantum mechanics and molecular mechanics method. FtmPT1 is a fungal indole prenyltransferase that catalyzes the reaction of tryptophan derivatives with dimethylallyl pyrophosphate to form various biologically active compounds. Herein I describe detailed studies of FtmPT1 catalysis involving dimethylallyl pyrophosphate and Brevianamide F following the native pathway (yielding Tryprostatin B) and an alternate pathway observed in the Gly115Thr mutant of FtmPT1, yielding a novel cyclized product. Importantly, these two products arise from the same intermediate state, meaning that a step other than the cleavage of the dimethylallyl pyrophosphate (DMAPP; C-O) bond is differentiating between the two product reaction channels. From detailed potential of mean force (PMF) and 2-D PMF analyses I conclude that the rate-limiting step is the cleavage of the C-O bond in DMAPP, while the deprotonation/cyclization step determines the final product distribution. Hence, in the case of FtmPT1, the optimization of the necessary catalytic machinery guides the generation of the final product after the intermediate carbocation formation.I also describe a conformational search algorithm using the “Movable Type” (MT) sampling method. Differing from traditional systematic and stochastic searching algorithms, this method uses probability information to facilitate the selection of the best conformations. The generated ensembles provided good coverage of the available conformation space including available crystal structures. Furthermore, my approach directly provides the solvation free energies and the relative gas and aqueous phase free energies for all generated conformers. The method was validated against thorough analyses on thrombin ligands as well as against structures extracted from both the Protein Data Bank (PDB) and the Cambridge Structural Database (CSD). These studies demonstrate that this MT-based ligand conformational search algorithm is a powerful approach for delineating the conformer ensembles of molecular species.

Description based on online resource;

Advisors/Committee Members: Merz, Kenneth M, Cukier, Robert I, Jackson, James E, Levine, Benjamin G.

Subjects/Keywords: Dimethylallyltranstransferase; Ligands (Biochemistry); Chemistry

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APA (6^th Edition):

Pan, L. (2015). Computational chemistry studies of prenyltransferases and small ligands. (Thesis). Michigan State University. Retrieved from http://etd.lib.msu.edu/islandora/object/etd:3650

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Pan, Li-Li. “Computational chemistry studies of prenyltransferases and small ligands.” 2015. Thesis, Michigan State University. Accessed February 27, 2021. http://etd.lib.msu.edu/islandora/object/etd:3650.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Pan, Li-Li. “Computational chemistry studies of prenyltransferases and small ligands.” 2015. Web. 27 Feb 2021.

Vancouver:

Pan L. Computational chemistry studies of prenyltransferases and small ligands. [Internet] [Thesis]. Michigan State University; 2015. [cited 2021 Feb 27]. Available from: http://etd.lib.msu.edu/islandora/object/etd:3650.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Pan L. Computational chemistry studies of prenyltransferases and small ligands. [Thesis]. Michigan State University; 2015. Available from: http://etd.lib.msu.edu/islandora/object/etd:3650

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

7. Wu, Wen, 1992-. Molecular lanthanide and actinide compounds with chalcogenolate ligands.

Degree: PhD, Chemistry and Chemical Biology, 2019, Rutgers University

URL: https://rucore.libraries.rutgers.edu/rutgers-lib/61031/

►

A series of novel molecular lanthanide and actinide chalcogenolate compounds have been prepared with different neutral donor ligands. Three lanthanide fluorinated selenolate monomers (DME)2Ln(SeC6F5)3 (Ln… (more)

▼

A series of novel molecular lanthanide and actinide chalcogenolate compounds have been prepared with different neutral donor ligands. Three lanthanide fluorinated selenolate monomers (DME)2Ln(SeC6F5)3 (Ln = Nd, Er, Tm, DME = 1,2-Dimethoxyethane) were synthesized in high yields by reductive cleavage of the Se-Se bond in (SeC6F5)2 with elemental Ln in DME. Their structural and optical properties are discussed. Emission measurements indicate that these compounds are bright NIR sources. A number of dimeric thorium disulfide and diselenide compounds have been prepared with sterically undemanding ancillary chalcogenolate ligands. Five complexes, (py)6Th2I4(S2)2 (py)6Th2Br2(SC6F5)2(S2)2, (py)6Th2I4(Se2)2, (py)6Th2I2(SC6F5)2(Se2)2, and (py)6Th2Br2(SC6F5)2(Se2)2 (py = pyridine) were isolated in high yields by first reducing mixtures of metal Th, chalcogenolate ligands and halide sources (I2 or PhSeBr) in py, followed by in-situ ligand based redox reactions with elemental sulfur or selenium. These are the first examples of thorium compounds with bridging dichalcogenide ligands. Attempts to prepare chloride derivatives gave mixtures of (py)4ThCl4 and either (py)6Th2Cl2(SC6F5)2(S2)2 or (py)8Th4Se4(SePh)4(SC6F5)4. A computational analysis of experimental 77Se NMR chemical shifts reveals that the dimeric structures with two bridging dichalcogenides are maintained in solution. Thermolysis of (py)6Th2I4(Se2)2 leads to the formation of solid-state ThSe2 and I2. The identities of chalcogenolate ligands and neutral donor ligands have been found to influence the structures of thorium compounds. Three Th monomers, (bipy)2Th(SC6F5)4, (Hpz)4(pz)Th(SC6F5)3 (Hdmpz)2(dmpz)2Th(SC6F5)2 and three Th dimers, (pzn)4Th2(SC6F5)8, (Hpz)4(pz)2Th2(SePh)6 (Hdmpz)4(dmpz)2Th2(SC6F5)6 (bipy=2,2’-bipyridine, pzn = pyrazine; Hpz = pyrazole, Hdmpz= 3,5 dimethylpyrazole) have been prepared and characterized. Reaction of Th, (SeC6F5)2 and Hpz in toluene also results in a thorium cluster (Hpz)8Th4Se4(SeC6F5)8 with Th4Se4 cubane core. Several thorium and uranium oxo- and fluoro- compounds were also synthesized. Oxo compounds (py)6Th2O(Se2)I4, (py)6U2O(Se2)I4, and (py)10Th6O3(Se2)8(SC6F5)2 were prepared by adding elemental Se and SeO2 into the mixture of metal Th or U, chalcogenolate ligands and halide sources in py. Two fluoride complexes have also been prepared. Coming from the reactions of metal Th or U, (SC6F5)2 and I2 in py, (py)4ThI3F contains fluoride from the original (SC6F5)2; while the uranium derivative, (py)3UI3(SC6F5) follows stoichiometry of the starting materials.

Advisors/Committee Members: Brennan, John G. (chair), Goldman, Alan (internal member), Asefa, Tewodros (internal member), Riman, Richard (outside member), School of Graduate Studies.

Subjects/Keywords: Ligands (Biochemistry); Inorganic compounds

10 more images…

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Wu, Wen, 1. (2019). Molecular lanthanide and actinide compounds with chalcogenolate ligands. (Doctoral Dissertation). Rutgers University. Retrieved from https://rucore.libraries.rutgers.edu/rutgers-lib/61031/

Chicago Manual of Style (16^th Edition):

Wu, Wen, 1992-. “Molecular lanthanide and actinide compounds with chalcogenolate ligands.” 2019. Doctoral Dissertation, Rutgers University. Accessed February 27, 2021. https://rucore.libraries.rutgers.edu/rutgers-lib/61031/.

MLA Handbook (7^th Edition):

Wu, Wen, 1992-. “Molecular lanthanide and actinide compounds with chalcogenolate ligands.” 2019. Web. 27 Feb 2021.

Vancouver:

Wu, Wen 1. Molecular lanthanide and actinide compounds with chalcogenolate ligands. [Internet] [Doctoral dissertation]. Rutgers University; 2019. [cited 2021 Feb 27]. Available from: https://rucore.libraries.rutgers.edu/rutgers-lib/61031/.

Council of Science Editors:

Wu, Wen 1. Molecular lanthanide and actinide compounds with chalcogenolate ligands. [Doctoral Dissertation]. Rutgers University; 2019. Available from: https://rucore.libraries.rutgers.edu/rutgers-lib/61031/

Rutgers University

8. Jeong, So Yi, 1984-. Second generation tris(2-pyridyl)borate ligands: toward supramolecular polymeric materials.

Degree: MS, Chemistry, 2014, Rutgers University

URL: https://rucore.libraries.rutgers.edu/rutgers-lib/45633/

► Supramolecular metallopolymers are generally synthesized by the self-assembly polymerization of ditopic ligands through metal-ligand binding, which is a reversible process in many cases. Supramolecular metallopolymers… (more)

▼ Supramolecular metallopolymers are generally synthesized by the self-assembly polymerization of ditopic ligands through metal-ligand binding, which is a reversible process in many cases. Supramolecular metallopolymers can provide a strong impact in polymer chemistry and materials science because of the diverse applications in self-healing, optical, electronic, and magnetic materials. The Jäkle group has recently introduced the first examples of tris(2-pyridyl)borates (Tpyb) as a new class of tridentate ligands. These new “scorpionate”-type ligands are promising because of their anticipated strong coordinating ability toward main group and transition metals, the chemical tunability, and the high stability in comparison to commonly used tris(2-pyrazolylborate)s. In addition to that, the negative charge of the tridentate ligand results in neutral complexes with metal (II) ions, which contrasts the behavior of widely used terpyridine ligands. Based on these considerations, numerous applications in the fields of materials chemistry and catalysis are anticipated. However, these scorpionate type ligands have not yet been studied in supramolecular chemistry. Therefore, this thesis is focused on the development of second generation tris(2-pyridyl)borate (Tpyb) ligands, where our aim is to utilize these ligands as new building blocks in the generation of supramolecular metallopolymers. The synthesis, characterization and metal complexation behavior of this new class of ligands will be discussed in this thesis. Tpyb ligands that contain additional functional groups X such as silyl and iodo groups are described. The structures of all the ligands were confirmed by multinuclear NMR spectroscopy, high-resolution MALDI mass spectrometry, and single crystal X-ray crystallography. The corresponding metal complexes (Tpyb)2M (M = Fe, Ru) were prepared and characterized by multinuclear NMR spectroscopy, and high-resolution MALDI mass spectrometry. The properties of these metal complexes were further studied by cyclic voltammetry (CV) and UV-vis spectroscopy. Finally, a fluorene-based bitopic derivate is presented as a building block for functional metal-containing polymers. Advisors/Committee Members: Jäkle, Frieder (chair), Sheridan, John B. (co-chair), Lalancette, Roger A. (internal member).

Subjects/Keywords: Supramolecular chemistry; Ligands (Biochemistry)

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Jeong, So Yi, 1. (2014). Second generation tris(2-pyridyl)borate ligands: toward supramolecular polymeric materials. (Masters Thesis). Rutgers University. Retrieved from https://rucore.libraries.rutgers.edu/rutgers-lib/45633/

Chicago Manual of Style (16^th Edition):

Jeong, So Yi, 1984-. “Second generation tris(2-pyridyl)borate ligands: toward supramolecular polymeric materials.” 2014. Masters Thesis, Rutgers University. Accessed February 27, 2021. https://rucore.libraries.rutgers.edu/rutgers-lib/45633/.

MLA Handbook (7^th Edition):

Jeong, So Yi, 1984-. “Second generation tris(2-pyridyl)borate ligands: toward supramolecular polymeric materials.” 2014. Web. 27 Feb 2021.

Vancouver:

Jeong, So Yi 1. Second generation tris(2-pyridyl)borate ligands: toward supramolecular polymeric materials. [Internet] [Masters thesis]. Rutgers University; 2014. [cited 2021 Feb 27]. Available from: https://rucore.libraries.rutgers.edu/rutgers-lib/45633/.

Council of Science Editors:

Jeong, So Yi 1. Second generation tris(2-pyridyl)borate ligands: toward supramolecular polymeric materials. [Masters Thesis]. Rutgers University; 2014. Available from: https://rucore.libraries.rutgers.edu/rutgers-lib/45633/

Rutgers University

9. Mal, Rudajit, 1983-. Development of novel bimetallic chiral complexes & formation of cyclic aminals under under Friedländer conditions.

Degree: MS, Chemistry and Chemical Biology, 2010, Rutgers University

URL: http://hdl.rutgers.edu/1782.1/rucore10001600001.ETD.000053349

► The design of new chiral binuclear ligands was undertaken to address the challenge of catalyzing nucleophilic additions to simple α,β- unsaturated carbonyl compounds. The designs… (more)

Subjects/Keywords: Ligands (Biochemistry)

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APA (6^th Edition):

Mal, Rudajit, 1. (2010). Development of novel bimetallic chiral complexes & formation of cyclic aminals under under Friedländer conditions. (Masters Thesis). Rutgers University. Retrieved from http://hdl.rutgers.edu/1782.1/rucore10001600001.ETD.000053349

Chicago Manual of Style (16^th Edition):

Mal, Rudajit, 1983-. “Development of novel bimetallic chiral complexes & formation of cyclic aminals under under Friedländer conditions.” 2010. Masters Thesis, Rutgers University. Accessed February 27, 2021. http://hdl.rutgers.edu/1782.1/rucore10001600001.ETD.000053349.

MLA Handbook (7^th Edition):

Mal, Rudajit, 1983-. “Development of novel bimetallic chiral complexes & formation of cyclic aminals under under Friedländer conditions.” 2010. Web. 27 Feb 2021.

Vancouver:

Mal, Rudajit 1. Development of novel bimetallic chiral complexes & formation of cyclic aminals under under Friedländer conditions. [Internet] [Masters thesis]. Rutgers University; 2010. [cited 2021 Feb 27]. Available from: http://hdl.rutgers.edu/1782.1/rucore10001600001.ETD.000053349.

Council of Science Editors:

Mal, Rudajit 1. Development of novel bimetallic chiral complexes & formation of cyclic aminals under under Friedländer conditions. [Masters Thesis]. Rutgers University; 2010. Available from: http://hdl.rutgers.edu/1782.1/rucore10001600001.ETD.000053349

Michigan State University

10. Liu, Nan (Cognitive software engineer). Probing interaction motifs for ligand binding prediction from three perspectives : assessing protein similarity, ligand similarity and components of protein-ligand interactions.

Degree: 2015, Michigan State University

URL: http://etd.lib.msu.edu/islandora/object/etd:3031

► The interactions between small molecules and diverse enzyme, membrane receptor and channel proteins are associated with important biological processes and diseases. This makes the study… (more)

▼ The interactions between small molecules and diverse enzyme, membrane receptor and channel proteins are associated with important biological processes and diseases. This makes the study of binding motifs between proteins and ligands appealing to scientists. We use multiple computational techniques to unveil the protein-ligand interaction motifs from three perspectives. Firstly, from the perspective of proteins, by comparing the structure differences and common features of different binding sites for the same ligand, 3-dimensional motifs that represent the favorable interactions of the same ligands can be extracted. The goal is for such a motif to represent the shared features for binding a certain ligand in unrelated proteins, while discriminating from other ligands. The 3-dimensional motifs for cholesterol and cholate binding to non-homologous protein sites have been extracted, using SimSite3D alignment and analysis of the conserved interactions between these sites. The 3-dimensional protein motif for cholesterol binding can give about 80% accuracy of true positive sites with a low false positive rate. Furthermore, an online server CholMine was established so that the users can use this approach to predict cholesterol and cholate binding sites in proteins of interest. These motifs can help annotation of protein functions, drug discovery and the design of mutations. Secondly, from the perspective of ligands, interaction motifs can be represented as molecular features important for biological activities of ligands. Searching and summary of shared motifs from pretested series of ligand candidates can provide rational guidance to further drug improvement and screening. Here, we report a series of potential sea lamprey olfactory receptor 1 antagonists discovered from databases we designed of molecules that are similar to the native ligand, 3kPZS. Compounds with overall electrostatic and shape similarity to 3kPZS were assessed by using ROCS software, and their initial important feature matches to 3kPZS were analyzed, to prioritize compounds for biological testing. Then, the molecular features important to biological activities were summarized using SALI analysis and functional group matchprint analysis. By combining theses approaches, 12 compounds were discovered that suppress the detection of 3kPZS by at least 45%, and the most active compounds have entered field testing. Thirdly, dissecting the components of protein-ligand binding energies is also important to define the key determinants of ligand interaction with a protein site. Through analyzing the correlation coefficient of interaction energies between a series of alpha-phenylalanine substitutes and PaPAM and biological activities of these compounds, the dominant factor that determine the activities of the compounds was revealed, which was steric effect between the binding site and these compounds. From the analysis, mutations at the residues of the binding site were suggested to change or improve the catalytic efficiency of the enzyme. Given these three approaches,… Advisors/Committee Members: Kuhn, Leslie A, Cukier, Robert I, Walker, Kevin D, Ferguson-Miller, Shelagh M.

Subjects/Keywords: Ligands (Biochemistry); Ligand binding (Biochemistry); Proteins; Chemistry

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Liu, N. (. s. e. (2015). Probing interaction motifs for ligand binding prediction from three perspectives : assessing protein similarity, ligand similarity and components of protein-ligand interactions. (Thesis). Michigan State University. Retrieved from http://etd.lib.msu.edu/islandora/object/etd:3031

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Liu, Nan (Cognitive software engineer). “Probing interaction motifs for ligand binding prediction from three perspectives : assessing protein similarity, ligand similarity and components of protein-ligand interactions.” 2015. Thesis, Michigan State University. Accessed February 27, 2021. http://etd.lib.msu.edu/islandora/object/etd:3031.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Liu, Nan (Cognitive software engineer). “Probing interaction motifs for ligand binding prediction from three perspectives : assessing protein similarity, ligand similarity and components of protein-ligand interactions.” 2015. Web. 27 Feb 2021.

Vancouver:

Liu N(se. Probing interaction motifs for ligand binding prediction from three perspectives : assessing protein similarity, ligand similarity and components of protein-ligand interactions. [Internet] [Thesis]. Michigan State University; 2015. [cited 2021 Feb 27]. Available from: http://etd.lib.msu.edu/islandora/object/etd:3031.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Liu N(se. Probing interaction motifs for ligand binding prediction from three perspectives : assessing protein similarity, ligand similarity and components of protein-ligand interactions. [Thesis]. Michigan State University; 2015. Available from: http://etd.lib.msu.edu/islandora/object/etd:3031

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Michigan State University

11. Bansal, Nupur. Conformational sampling of binding pocket and predicting binding free energies.

Degree: 2018, Michigan State University

URL: http://etd.lib.msu.edu/islandora/object/etd:16330

►

"In order to correctly predict protein-ligand binding poses and free energies, it is essential to accurately take into account receptor flexibility. However, incorporating it into… (more)

Subjects/Keywords: Ligand binding (Biochemistry); Protein binding; Ligands (Biochemistry); Chemistry; Biochemistry

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APA (6^th Edition):

Bansal, N. (2018). Conformational sampling of binding pocket and predicting binding free energies. (Thesis). Michigan State University. Retrieved from http://etd.lib.msu.edu/islandora/object/etd:16330

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Bansal, Nupur. “Conformational sampling of binding pocket and predicting binding free energies.” 2018. Thesis, Michigan State University. Accessed February 27, 2021. http://etd.lib.msu.edu/islandora/object/etd:16330.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Bansal, Nupur. “Conformational sampling of binding pocket and predicting binding free energies.” 2018. Web. 27 Feb 2021.

Vancouver:

Bansal N. Conformational sampling of binding pocket and predicting binding free energies. [Internet] [Thesis]. Michigan State University; 2018. [cited 2021 Feb 27]. Available from: http://etd.lib.msu.edu/islandora/object/etd:16330.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Bansal N. Conformational sampling of binding pocket and predicting binding free energies. [Thesis]. Michigan State University; 2018. Available from: http://etd.lib.msu.edu/islandora/object/etd:16330

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Nelson Mandela Metropolitan University

12. Louw, Marissa. New platinum and palladium complexes: their anticancer application.

Degree: Faculty of Science, 2010, Nelson Mandela Metropolitan University

URL: http://hdl.handle.net/10948/d1016218

► Novel non-leaving groups were employed in this dissertation to synthesize platinum complexes which can assist in the understanding or improvement of anticancer action. Emphasis was… (more)

▼ Novel non-leaving groups were employed in this dissertation to synthesize platinum complexes which can assist in the understanding or improvement of anticancer action. Emphasis was placed on (NS)-chelate and (NN)-chelate platinum complexes. Bidentate (NS)-donor ligands were used as non-leaving ligands in the synthesis of platinum(II) complexes with iodo, chloro, bromo and oxalato groups as leaving groups. These complexes were synthesized and studied since many questions regarding the interaction of sulfur-donors and platinum still exist. These relate to thermodynamic and kinetic factors and their influence on anticancer action. In this dissertation the properties of novel platinum(II) complexes of a bidentate ligand having an aromatic nitrogen-donor atom in combination with a thioethereal sulfur atom capable of forming a five-membered ring with platinum(II) were studied. The general structure of the (NS)-ligands used was 2-((alkylthio)methyl)pyridine. Alkyl groups used were methyl, ethyl, propyl, benzyl and phenyl. Amine complexes of platinum have been studied extensively in the past. However, attention was given to novel aspects of substituted pyridine and imidazole ligands and their corresponding complexes. Amongst these are 2-(2-methylaminoethyl)pyridine, 1-methyl-2-methylaminoethylimidazole and 1-methyl-2-methylaminobenzylimidazole. The leaving groups included chloro, bromo and oxalato. Mononitroplatinum(IV) complexes were prepared using novel synthetic methods. Selected platinum(II) amine complexes were used as starting materials for this synthesis. Some of these compounds exhibit promising anticancer behaviour. (Trans-(R,R)-1,2-diaminocyclohexane)(oxalato)(mononitrochloro)platinum(IV) is a particularly good anticancer agent and has been patented internationally. All these complexes were characterized using mass spectrometry, chromatography, thermogravimetric analysis, kinetic aspects such as ligand exchange rates and finally their anticancer action against three different cancer cell lines was evaluated via cytotoxicity assays. Some of the compounds exhibited particularly good anticancer potential.

Subjects/Keywords: Complex compounds – Synthesis; Ligands (Biochemistry); Antineoplastic antibiotics

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APA (6^th Edition):

Louw, M. (2010). New platinum and palladium complexes: their anticancer application. (Thesis). Nelson Mandela Metropolitan University. Retrieved from http://hdl.handle.net/10948/d1016218

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Louw, Marissa. “New platinum and palladium complexes: their anticancer application.” 2010. Thesis, Nelson Mandela Metropolitan University. Accessed February 27, 2021. http://hdl.handle.net/10948/d1016218.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Louw, Marissa. “New platinum and palladium complexes: their anticancer application.” 2010. Web. 27 Feb 2021.

Vancouver:

Louw M. New platinum and palladium complexes: their anticancer application. [Internet] [Thesis]. Nelson Mandela Metropolitan University; 2010. [cited 2021 Feb 27]. Available from: http://hdl.handle.net/10948/d1016218.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Louw M. New platinum and palladium complexes: their anticancer application. [Thesis]. Nelson Mandela Metropolitan University; 2010. Available from: http://hdl.handle.net/10948/d1016218

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of Delaware

13. McNeely, Patrick M. Receptor-receptor, ligand, and membrane interactions of the adenosine A2A receptor.

Degree: PhD, University of Delaware, Department of Chemical and Biomolecular Engineering, 2016, University of Delaware

URL: http://udspace.udel.edu/handle/19716/20568

► G Protein-Coupled Receptors (GPCRs) comprise the largest superfamily of membrane proteins in the human genome, with ~800 GPCRs identified. These receptors are responsible for many… (more)

▼ G Protein-Coupled Receptors (GPCRs) comprise the largest superfamily of membrane proteins in the human genome, with ~800 GPCRs identified. These receptors are responsible for many essential functions in day-to-day life, including sight, taste, neural and cardiac activity, and the immune system. Though this receptor superfamily is known to play a critical role in everyday life, many details of GPCR activity remain unclear. Within the GPCR superfamily is the adenosine receptor family, comprised of four receptor subtypes (A 1R, A2AR, A2BR, and A3R). The adenosine receptors predominantly mediate signaling through Gαs and Gαi G-protein subtypes, and are involved in neural, cardiac, pulmonary, and immune systems, and currently being studied for their role in Parkinson’s and Huntington’s diseases. As such, the adenosine receptors provide a potentially rich therapeutic target. In canonical GPCR-ligand interaction, an extracellular ligand binds to the receptor at the cell surface and initiates a downstream signaling cascade through an associated heterotrimeric G protein complex. In the complex world of cells, GPCR-mediated signaling is known to be rather more complex than the canonical model. GPCRs are exposed to numerous other proteins and lipids within the plasma membrane. Although most of the protein interactions are coincidental results of the constrained environment of the plasma membrane, experimental evidence has been building over the last ten years to suggest that GPCR oligomerization modulates signaling. In addition to modulation through receptor-receptor interactions, multiple ligands interact with GPCRs to upregulate, prevent, or reduce basal signaling. Some ligands also facilitate upregulation of signaling in certain pathways over others. The molecular details of how ligands orchestrate conformational changes in a receptor and which receptor conformations lead to biased signaling remain largely unknown. A yeast strain with a fluorescent reporter of GPCR activation was developed to examine the interaction between A2A and A2B adenosine receptors, and the influence of these interactions on GPCR-mediated MAPK signaling. The interactions were also monitored using Forster Resonant Energy Transfer (FRET) between fluorescent tags on the receptor monomers. As expected, agonist addition upregulated the MAPK pathway, while antagonist addition prevented MAPK upregulation. Significant MAPK signaling cross-talk was observed between homo- and heterodimers, and the FRET signal was found to be dynamic depending on the ligand added. In addition to upregulating signaling independently, A2AR and A2BR appear to form a signaling-sensitized complex that responds to some ligands differently than either receptor singly. Ligand binding plays a fundamental role in stimulating the response of receptors to affect the downstream signaling. Various natural and artificial ligands for A2AR have been identified, but the kinetic binding properties of the ligands are not well understood. The equilibrium affinity constant KD is frequently… Advisors/Committee Members: Robinson, Anne S..

Subjects/Keywords: Adenosine.; Cell receptors.; Cell membranes.; Ligands (Biochemistry)

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APA (6^th Edition):

McNeely, P. M. (2016). Receptor-receptor, ligand, and membrane interactions of the adenosine A2A receptor. (Doctoral Dissertation). University of Delaware. Retrieved from http://udspace.udel.edu/handle/19716/20568

Chicago Manual of Style (16^th Edition):

McNeely, Patrick M. “Receptor-receptor, ligand, and membrane interactions of the adenosine A2A receptor.” 2016. Doctoral Dissertation, University of Delaware. Accessed February 27, 2021. http://udspace.udel.edu/handle/19716/20568.

MLA Handbook (7^th Edition):

McNeely, Patrick M. “Receptor-receptor, ligand, and membrane interactions of the adenosine A2A receptor.” 2016. Web. 27 Feb 2021.

Vancouver:

McNeely PM. Receptor-receptor, ligand, and membrane interactions of the adenosine A2A receptor. [Internet] [Doctoral dissertation]. University of Delaware; 2016. [cited 2021 Feb 27]. Available from: http://udspace.udel.edu/handle/19716/20568.

Council of Science Editors:

McNeely PM. Receptor-receptor, ligand, and membrane interactions of the adenosine A2A receptor. [Doctoral Dissertation]. University of Delaware; 2016. Available from: http://udspace.udel.edu/handle/19716/20568

University of North Carolina – Greensboro

14. Lingerfelt, Mary A. Construction and validation of GPR55 active and inactive state in silico models through the use of biological assays, mutation data, and structure activity relationships.

Degree: 2016, University of North Carolina – Greensboro

URL: http://libres.uncg.edu/ir/listing.aspx?styp=ti&id=21355

► G-protein coupled receptors (GPCRs) function as both gatekeepers and molecular messengers of the cell. They relay signals that span the cell membrane mediating nearly every… (more)

▼ G-protein coupled receptors (GPCRs) function as both gatekeepers and molecular messengers of the cell. They relay signals that span the cell membrane mediating nearly every significant physiological process and currently represent the target of about 30% of all drugs. The signals they transmit can arise from a remarkable variety of stimuli which includes, but is not limited to, photons, neurotransmitters and hormones. GPR55, a rhodopsin-like (Class A) GPCR, has received a great deal of attention due to its emerging involvement in a multitude of physiological processes and its putative identity as a third type of cannabinoid receptor. Characterizations of GPR55 knock-out mice reveal a role for the receptor in controlling inflammatory pain, neuropathic pain, and bone resorption.1 Myriad other studies indicate that GPR55 activation may play a part in oncogenesis and metathesis. GPR55 can be found in numerous tissue types throughout the body and is also highly expressed throughout the cerebellum and surrounding central nervous system lending credence to the idea that this receptor may play a more crucial physiological role than originally thought.2 GPR55 has an extensive physiological profile and has been shown to respond uniquely to a great number of diverse compounds. Specifically, it has been shown to recognize many cannabinoid compounds, including CB1 and CB2 endogenous ligands, phytocannabinoids and synthetic cannabinoids. Similar to the ligands of the CB1 and CB2 receptors, the endogenous ligand of GPR55, lysophosphatidylinositol (LPI), is a lipid-derived molecule.3 LPI activates ERK1/2 and increases [Ca2+] and, to date, there has been no evidence that LPI interacts with the other cannabinoid receptors. Despite innumerable prospective clinical uses hinted at by the aforementioned research no low nanomolar potency ligands of GPR55 have been identified. Nor has there been a radio-ligand developed to characterize the binding site of this receptor. Lack of such tools is a great impediment to any forward progress towards developing the GPR55 receptor as a therapeutic target for drug design. The following research details the creation of both a GPR55 active- and a GPR55 inactive- state homology model. Towards this goal, Chapter I details the background of the discovery, pharmacological relevance and ligand scope of GPR55. Its purpose is to establish a framework for the research that follows and highlight the medical importance of this elusive receptor. Chapter II describes the synthetic preparation of antagonists of GPR55 for use in preliminary SAR studies. The original high throughput screen that lead to the identification of novel GPR55 scaffold chemotypes from the screening of over 300,000 compounds gave rise to the piperidinyloxadiazolone compound CID23612552 and the synthetic diversification of what was then dubbed Scaffold 1. A detailed description of the methods used in the construction of the updated R and R* state of GPR55 models is handled in Chapter III. A combination of Conformational Memories4,5 (using the… Advisors/Committee Members: Patricia Reggio (advisor).

Subjects/Keywords: G proteins – Receptors; Cannabinoids – Receptors; Ligands (Biochemistry)

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Lingerfelt, M. A. (2016). Construction and validation of GPR55 active and inactive state in silico models through the use of biological assays, mutation data, and structure activity relationships. (Doctoral Dissertation). University of North Carolina – Greensboro. Retrieved from http://libres.uncg.edu/ir/listing.aspx?styp=ti&id=21355

Chicago Manual of Style (16^th Edition):

Lingerfelt, Mary A. “Construction and validation of GPR55 active and inactive state in silico models through the use of biological assays, mutation data, and structure activity relationships.” 2016. Doctoral Dissertation, University of North Carolina – Greensboro. Accessed February 27, 2021. http://libres.uncg.edu/ir/listing.aspx?styp=ti&id=21355.

MLA Handbook (7^th Edition):

Lingerfelt, Mary A. “Construction and validation of GPR55 active and inactive state in silico models through the use of biological assays, mutation data, and structure activity relationships.” 2016. Web. 27 Feb 2021.

Vancouver:

Lingerfelt MA. Construction and validation of GPR55 active and inactive state in silico models through the use of biological assays, mutation data, and structure activity relationships. [Internet] [Doctoral dissertation]. University of North Carolina – Greensboro; 2016. [cited 2021 Feb 27]. Available from: http://libres.uncg.edu/ir/listing.aspx?styp=ti&id=21355.

Council of Science Editors:

Lingerfelt MA. Construction and validation of GPR55 active and inactive state in silico models through the use of biological assays, mutation data, and structure activity relationships. [Doctoral Dissertation]. University of North Carolina – Greensboro; 2016. Available from: http://libres.uncg.edu/ir/listing.aspx?styp=ti&id=21355

University of Oklahoma

15. Wang, Zhaodong. COPPER CHEMISTRY OF PYRIDYLALKYLBENZAMIDE LIGANDS: MODELING THE CUZ CENTER OF N2OR AND COORDINATION POLYMER CHEMISTRY.

Degree: PhD, 2011, University of Oklahoma

URL: http://hdl.handle.net/11244/318559

► (2-methoxyphenol) (H2LMeO-amine), and 2,2'-(2-methyl-2(pyridine-2-yl)propane-1,3diyl)bis(azanediyl)bis(methylene)bis-(4-nitrophenol) (H2LNO2-amine) were synthesized and characterized by spectroscopic studies. [Cu(LBr2-amine)] (6) and [Cu(LNO2-amine)] (7) are mononuclear copper(II) complexes with square pyramidal geometry.… (more)

Subjects/Keywords: Ligands (Biochemistry); Nitric-oxide synthase; Copper enzymes

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Wang, Z. (2011). COPPER CHEMISTRY OF PYRIDYLALKYLBENZAMIDE LIGANDS: MODELING THE CUZ CENTER OF N2OR AND COORDINATION POLYMER CHEMISTRY. (Doctoral Dissertation). University of Oklahoma. Retrieved from http://hdl.handle.net/11244/318559

Chicago Manual of Style (16^th Edition):

Wang, Zhaodong. “COPPER CHEMISTRY OF PYRIDYLALKYLBENZAMIDE LIGANDS: MODELING THE CUZ CENTER OF N2OR AND COORDINATION POLYMER CHEMISTRY.” 2011. Doctoral Dissertation, University of Oklahoma. Accessed February 27, 2021. http://hdl.handle.net/11244/318559.

MLA Handbook (7^th Edition):

Wang, Zhaodong. “COPPER CHEMISTRY OF PYRIDYLALKYLBENZAMIDE LIGANDS: MODELING THE CUZ CENTER OF N2OR AND COORDINATION POLYMER CHEMISTRY.” 2011. Web. 27 Feb 2021.

Vancouver:

Wang Z. COPPER CHEMISTRY OF PYRIDYLALKYLBENZAMIDE LIGANDS: MODELING THE CUZ CENTER OF N2OR AND COORDINATION POLYMER CHEMISTRY. [Internet] [Doctoral dissertation]. University of Oklahoma; 2011. [cited 2021 Feb 27]. Available from: http://hdl.handle.net/11244/318559.

Council of Science Editors:

Wang Z. COPPER CHEMISTRY OF PYRIDYLALKYLBENZAMIDE LIGANDS: MODELING THE CUZ CENTER OF N2OR AND COORDINATION POLYMER CHEMISTRY. [Doctoral Dissertation]. University of Oklahoma; 2011. Available from: http://hdl.handle.net/11244/318559

University of Oklahoma

16. Wang, Zhaodong. COPPER CHEMISTRY OF PYRIDYLALKYLBENZAMIDE LIGANDS: MODELING THE CUZ CENTER OF N2OR AND COORDINATION POLYMER CHEMISTRY.

Degree: PhD, 2011, University of Oklahoma

URL: http://hdl.handle.net/11244/319510

► (2-methoxyphenol) (H2LMeO-amine), and 2,2'-(2-methyl-2(pyridine-2-yl)propane-1,3diyl)bis(azanediyl)bis(methylene)bis-(4-nitrophenol) (H2LNO2-amine) were synthesized and characterized by spectroscopic studies. [Cu(LBr2-amine)] (6) and [Cu(LNO2-amine)] (7) are mononuclear copper(II) complexes with square pyramidal geometry.… (more)

Subjects/Keywords: Ligands (Biochemistry); Nitric-oxide synthase; Copper enzymes

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Wang, Z. (2011). COPPER CHEMISTRY OF PYRIDYLALKYLBENZAMIDE LIGANDS: MODELING THE CUZ CENTER OF N2OR AND COORDINATION POLYMER CHEMISTRY. (Doctoral Dissertation). University of Oklahoma. Retrieved from http://hdl.handle.net/11244/319510

Chicago Manual of Style (16^th Edition):

Wang, Zhaodong. “COPPER CHEMISTRY OF PYRIDYLALKYLBENZAMIDE LIGANDS: MODELING THE CUZ CENTER OF N2OR AND COORDINATION POLYMER CHEMISTRY.” 2011. Doctoral Dissertation, University of Oklahoma. Accessed February 27, 2021. http://hdl.handle.net/11244/319510.

MLA Handbook (7^th Edition):

Wang, Zhaodong. “COPPER CHEMISTRY OF PYRIDYLALKYLBENZAMIDE LIGANDS: MODELING THE CUZ CENTER OF N2OR AND COORDINATION POLYMER CHEMISTRY.” 2011. Web. 27 Feb 2021.

Vancouver:

Wang Z. COPPER CHEMISTRY OF PYRIDYLALKYLBENZAMIDE LIGANDS: MODELING THE CUZ CENTER OF N2OR AND COORDINATION POLYMER CHEMISTRY. [Internet] [Doctoral dissertation]. University of Oklahoma; 2011. [cited 2021 Feb 27]. Available from: http://hdl.handle.net/11244/319510.

Council of Science Editors:

Wang Z. COPPER CHEMISTRY OF PYRIDYLALKYLBENZAMIDE LIGANDS: MODELING THE CUZ CENTER OF N2OR AND COORDINATION POLYMER CHEMISTRY. [Doctoral Dissertation]. University of Oklahoma; 2011. Available from: http://hdl.handle.net/11244/319510

Michigan State University

17. Li, Shuxuan. Effects of intramolecular spin polarization on the physical and photophysical properties of exchange-coupled systems.

Degree: 2019, Michigan State University

URL: http://etd.lib.msu.edu/islandora/object/etd:19680

►

Thesis Ph. D. Michigan State University. Chemistry 2019

Heisenberg spin exchange takes place when two or more unpaired spins in close proximity interact, so that… (more)

▼

Thesis Ph. D. Michigan State University. Chemistry 2019

Heisenberg spin exchange takes place when two or more unpaired spins in close proximity interact, so that their relative orientations are no longer independent of one another. Previous studies on dimeric complexes of [MM’(tren)2(CAn-)]m+ (M, M’ = CrIII or GaIII, CA) is the bisdentate chloranilate ligand, tren is tris(2-aminoethyl)amine) provided experimental evidence that the presence of spin exchange can affect optical and magnetic properties. The bridging ligand is redox active, which can be changed to yield various redox states via redox reactions, e.g. semiquinone, catecholate, or quinone. These simple systems provide a convenient platform for the studies of both spectroscopic and magnetic behaviors. In semiquinone form, the unpaired electrons on CrIII can interact with the unpaired electron on the bridging ligand. The different forms of ligand can turn “on” or “off” the exchange coupling interactions within the dimeric complex.The Heisenberg model of these systems predicts that the introduction of spin exchange results in a net thermodynamic stabilization of the system. The results seen in cyclic voltammetry (CV) experiments suggest that the larger potential peak separation (ΔEechem) of [Cr2(tren)2(CA)]m+ may be a thermodynamic consequence of spin exchange compared to [Ga2(tren)2(CA)]m+. This may be the first time that the thermodynamic stabilization energy of spin exchange is possibly quantified by other physical measurements.iiiIn order to examine the effects of the thermodynamic stabilization by the spin exchange interaction and establish the thermodynamic correlation seen in both electrochemical and magnetic behaviors, CrIII and GaIII analogues with various substituents on the tetraoxolene bridge are synthesized and characterized. R= H, F, Cl, Br, I, cyano, phenyl, and piperidino make excellent choices of substituents. Additionally, horizontally-elongated bridging ligands, anthracene and naphthalene tetraoxo-derivatives, were synthesized and coordinated to CrIII for the studies, because the electron mobility within these conjugated ligands can delocalize the spin density further away from the metal ions. In addition, the effects of intraligand electron delocalization can be examined by incorporating N,N-dimethylaminophenyl and cyanophenyl substituents on an anilate-bridging ligand to change the directionality of spin polarization. Density Functional Theory (DFT) calculations were employed to validate synthetic viability and provide some in-depth insight of the experimental data.The cyclic voltammetry and variable-temperature magnetic susceptibility data of these [Cr2(tren)2(L)]n+ and [Ga2(tren)2(L)]n+ systems were collected and compared. Among all, the thermodynamic stabilization observed in the [Cr2(tren)2(Me2-AnT)]n+ complex is the weakest. This result matches the prediction of both our hypothesis and our DFT calculations. Both electrochemical and magnetic measurements are employed to provide experimental evidence, which will become advantageous…

Advisors/Committee Members: McCusker, James K, Smith, Milton R, Beaulac, Rémi, Odom, Aaron L.

Subjects/Keywords: Spin exchange; Ligands (Biochemistry); Thermodynamics; Chemistry

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APA (6^th Edition):

Li, S. (2019). Effects of intramolecular spin polarization on the physical and photophysical properties of exchange-coupled systems. (Thesis). Michigan State University. Retrieved from http://etd.lib.msu.edu/islandora/object/etd:19680

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Li, Shuxuan. “Effects of intramolecular spin polarization on the physical and photophysical properties of exchange-coupled systems.” 2019. Thesis, Michigan State University. Accessed February 27, 2021. http://etd.lib.msu.edu/islandora/object/etd:19680.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Li, Shuxuan. “Effects of intramolecular spin polarization on the physical and photophysical properties of exchange-coupled systems.” 2019. Web. 27 Feb 2021.

Vancouver:

Li S. Effects of intramolecular spin polarization on the physical and photophysical properties of exchange-coupled systems. [Internet] [Thesis]. Michigan State University; 2019. [cited 2021 Feb 27]. Available from: http://etd.lib.msu.edu/islandora/object/etd:19680.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Li S. Effects of intramolecular spin polarization on the physical and photophysical properties of exchange-coupled systems. [Thesis]. Michigan State University; 2019. Available from: http://etd.lib.msu.edu/islandora/object/etd:19680

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Michigan State University

18. Howart, Michael. Analysis of water ligands within the allosteric forms of phenylalanine hydroxylase.

Degree: 2013, Michigan State University

URL: http://etd.lib.msu.edu/islandora/object/etd:2240

►

Thesis Ph. D. Michigan State University. Chemistry 2013.

Phenylalanine Hydroxylase (PheH) is a liver enzyme that catalyzes the conversion of L- phenylalnine to L-tyrosine using… (more)

▼

Thesis Ph. D. Michigan State University. Chemistry 2013.

Phenylalanine Hydroxylase (PheH) is a liver enzyme that catalyzes the conversion of L- phenylalnine to L-tyrosine using tetrahydrobiopterin and molecular oxygen. Deficiencies in this enzyme cause phenylketonuria (PKU), an autosomal recessive metabolic disorder that occurs in ~1/10,000 live births. The general mechanism of PheH consists of two major steps: (1) formation of the ferryl-oxo species and (2) hydroxylation of the aromatic amino acid L-phenylalanine. Before the coupled hydoxylation can occur, PheH is activated by the presence of L-phe from the T-(unactivated) to R-(activated)-state. Here activation is marked by a distinct increase in the specific activity, which corresponds to a 2.2 and 8-fold increase in the specific activity for hPheH and rPheH, respectively. Accompanying the activation of PheH is a global conformational change, which results in a ligand rearrangement of the active site. Mixed signals about the presence of water in the literature have lead to multiple accounts concerning the role water plays in the formation of the ferryl-oxo species. This work provided the basis for studying water ligands in pterin dependent non-heme iron enzymes with an [FeNO]⁷ spin system using ¹H ESEEM and HYSCORE. Based on qualitative argument with the ¹H ESEEM spectra from the [FeNO]⁷-(N₂O)(H₂O)₂ and [FeNO]⁷-(N₂O₂)(H₂O)₁ model complexes, it was determined that the activation of PheH, without BH₄ complexed, lead to a one water dehydration of PheH's active site. The water ligands were then quantitatively analyzed to show characteristic dipolar distances (from the iron to the water protons) of 2.52 - 2.62 Å and β angles between 58° - 83° and 97° - 122°. The observed dipolar distances and angles are consitent with water ligands that are located cis to the binding site of NO. Overall, this analysis demonstrated the ability of using ¹H ESEEM and HYSCORE to study water ligands bound to non-heme iron enzymes.

Description based on online resource; title from PDF t.p. (ProQuest, viewed on April 14, 2017).

Advisors/Committee Members: McCracken, John, Weliky, David, Hunt, Katharine, McCusker, James.

Subjects/Keywords: Allosteric enzymes – Analysis; Ligands (Biochemistry) – Analysis; Chemistry

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Howart, M. (2013). Analysis of water ligands within the allosteric forms of phenylalanine hydroxylase. (Thesis). Michigan State University. Retrieved from http://etd.lib.msu.edu/islandora/object/etd:2240

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Howart, Michael. “Analysis of water ligands within the allosteric forms of phenylalanine hydroxylase.” 2013. Thesis, Michigan State University. Accessed February 27, 2021. http://etd.lib.msu.edu/islandora/object/etd:2240.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Howart, Michael. “Analysis of water ligands within the allosteric forms of phenylalanine hydroxylase.” 2013. Web. 27 Feb 2021.

Vancouver:

Howart M. Analysis of water ligands within the allosteric forms of phenylalanine hydroxylase. [Internet] [Thesis]. Michigan State University; 2013. [cited 2021 Feb 27]. Available from: http://etd.lib.msu.edu/islandora/object/etd:2240.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Howart M. Analysis of water ligands within the allosteric forms of phenylalanine hydroxylase. [Thesis]. Michigan State University; 2013. Available from: http://etd.lib.msu.edu/islandora/object/etd:2240

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

19. Lawrence, Lyle. Ligand binding to G protein-coupled receptors (GPCRs) 1. 1,8-naphthyridine analogs binding to the cannabinoid CB2 receptor 2. Pharmacophore model development for aminoalkylindole binding to a novel GPCR.

Degree: 2014, NC Docks

URL: http://libres.uncg.edu/ir/uncg/f/Lawrence_uncg_0154M_11500.pdf

► G-protein coupled receptors (GPCRs) are transmembrane receptors found in eukaryotes that control many cellular signaling events. The cannabinoid receptors, CB1 and CB2, are both GPCRs.… (more)

▼ G-protein coupled receptors (GPCRs) are transmembrane receptors found in eukaryotes that control many cellular signaling events. The cannabinoid receptors, CB1 and CB2, are both GPCRs. These are the receptors that are activated by Δ9-THC, the principal psychoactive compound in marijuana. CB1 is found mainly in neuronal cells and its activation is thought to lead to the negative, psychoactive side effects of marijuana. CB2 is found in immune cells and in small concentrations in brain tissue. Beneficial effects of activating the cannabinoid receptors include reduction in intraocular pressure, analgesia, antiemesis, and effects on bone density. Designing a drug that can selectively activate CB2, without activating CB1 should lead to analgesia without the negative side effects of CB1. Recent studies have shown the potential of CB2 in treating neurodegenerative diseases such as Parkinson's and Alzheimer's; increasing the importance for developing CB2 selective drugs. Analogs were developed using the 1,8-naphthyridine scaffold that are selective for CB2. These analogs had different activities at CB2 based on their structures. One goal of my thesis project was to develop a model for the binding of 1,8-naphthyridine analogs binding at CB2 and to develop a hypothesis concerning the structural requirements for their production of agonism or antagonism at CB2. The analogs were synthesized and tested by our collaborator, Dr. Clementina Manera at the University of Pisa. Computational modeling techniques were used to generate conformations of the 1,8-naphthyridine compounds. An automated docking program, Glide, was used to generate the ligand-receptor complexes. The model showed that the presence of a substituent at the C-6 position of the 1,8-naphthyridine ring prevents CB2 from adopting an activated state. Project 2. Aminoalkylindole Pharmacophore Model A second goal of my thesis was to develop a pharmacophore model for the newly discovered aminoalkylindole (AAI) receptor. WIN 55212-2 is the prototypical aminoalkylindole (AAI) and is known to act as an agonist at both CB1 and CB2. Recently, our collaborator, Dr. Nephi Stella (University of Washington) discovered that WIN 55212-2 and other AAI compounds bind to a non-CB GPCR found in HEK 293 and T98G cells. AAI analogs were developed to generate a structure activity relationship (SAR). These analogs and their binding data were used to generate a pharmacophore model that explains how these AAI compounds are binding to this new receptor. A pharmacophore model is a set of chemical features and their spatial arrangement that explains how a set of compounds bind to a protein. Computational modeling techniques were used to generate conformations of the AAI compounds. The pharmacophore model was developed in PHASE (Schrodinger, Inc.) using a conformational approach on a set of active compounds. The pharmacophore model shows the importance of four aromatic features, a hydrogen bond acceptor feature, and a hydrophobic feature corresponding to the C-2 position of the indole ring.

Subjects/Keywords: G proteins $x Receptors; Ligands (Biochemistry)

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Lawrence, L. (2014). Ligand binding to G protein-coupled receptors (GPCRs) 1. 1,8-naphthyridine analogs binding to the cannabinoid CB2 receptor 2. Pharmacophore model development for aminoalkylindole binding to a novel GPCR. (Thesis). NC Docks. Retrieved from http://libres.uncg.edu/ir/uncg/f/Lawrence_uncg_0154M_11500.pdf

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Lawrence, Lyle. “Ligand binding to G protein-coupled receptors (GPCRs) 1. 1,8-naphthyridine analogs binding to the cannabinoid CB2 receptor 2. Pharmacophore model development for aminoalkylindole binding to a novel GPCR.” 2014. Thesis, NC Docks. Accessed February 27, 2021. http://libres.uncg.edu/ir/uncg/f/Lawrence_uncg_0154M_11500.pdf.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Lawrence, Lyle. “Ligand binding to G protein-coupled receptors (GPCRs) 1. 1,8-naphthyridine analogs binding to the cannabinoid CB2 receptor 2. Pharmacophore model development for aminoalkylindole binding to a novel GPCR.” 2014. Web. 27 Feb 2021.

Vancouver:

Lawrence L. Ligand binding to G protein-coupled receptors (GPCRs) 1. 1,8-naphthyridine analogs binding to the cannabinoid CB2 receptor 2. Pharmacophore model development for aminoalkylindole binding to a novel GPCR. [Internet] [Thesis]. NC Docks; 2014. [cited 2021 Feb 27]. Available from: http://libres.uncg.edu/ir/uncg/f/Lawrence_uncg_0154M_11500.pdf.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Lawrence L. Ligand binding to G protein-coupled receptors (GPCRs) 1. 1,8-naphthyridine analogs binding to the cannabinoid CB2 receptor 2. Pharmacophore model development for aminoalkylindole binding to a novel GPCR. [Thesis]. NC Docks; 2014. Available from: http://libres.uncg.edu/ir/uncg/f/Lawrence_uncg_0154M_11500.pdf

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of Aberdeen

20. Cristofori, Virginia. Computationally aided rational design, synthesis and evaluation of PFKFB3 ligands for atherosclerotic plaque stabilisation.

Degree: PhD, 2019, University of Aberdeen

URL: https://abdn.alma.exlibrisgroup.com/view/delivery/44ABE_INST/12153331230005941 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.787434

► Several types of cells actively involved in atherosclerosis undergo a metabolic reprogramming that comprises an accelerated glycolytic flux to the detriment of mitochondrial oxidative phosphorylation.… (more)

▼ Several types of cells actively involved in atherosclerosis undergo a metabolic reprogramming that comprises an accelerated glycolytic flux to the detriment of mitochondrial oxidative phosphorylation. This phenomenon, known as the Warburg effect, allows cells to produce ample energy and biomass with negligible oxygen consumption, resulting in uncontrolled high-speed proliferation. This phenotypic dysfunction underlies both inflammation and angiogenesis, two processes that are foundation of the pathological behaviour of the plaque and promote its destabilisation. The preponderant kinase domain of inducible PFKFB3 enzyme catalyses the synthesis of F2,6P, which simultaneously promotes glycolysis and inhibits gluconeogenesis. PFKFB3 has been found to be one of the most abundant and overly expressed isoenzymes in the Warburg effect, suggesting its key role in the pathology. From a clinical perspective, PFKFB3 represents an emerging biological target, and its inhibition would be an innovative therapeutic strategy for the treatment of atherosclerotic lesions. Our study revolves around the identification of new PFKFB3 kinase inhibitors. The rational design was carried out with the aid of computational methods, based on the 3D-structures of both PFKFB3 protein and known active ligands. In particular, two classes of inhibitors were used as reference ligands for the development of two distinct virtual screening workflows that led to the identification of two generations of candidate inhibitors. The first hierarchical workflow consisted of a pharmacophore-based library filtration, followed by molecular docking and molecular dynamic simulations, whereas the second consisted of a ligandoptimisation process based on the design of a focussed synthesisable library of analogues that were submitted to molecular docking along with a concomitant similarity search for scaffold hopping. The first- and the second-generation candidate compounds, which were predicted to have good in silico affinity towards PFKFB3, were synthesised and biologically evaluated through kinase assay, providing further insights about these selected drug-like molecules and new structure-activity relationship information.

Subjects/Keywords: 610; Atherosclerotic plaque; Atherosclerosis; Ligands (Biochemistry); Enzymes

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Cristofori, V. (2019). Computationally aided rational design, synthesis and evaluation of PFKFB3 ligands for atherosclerotic plaque stabilisation. (Doctoral Dissertation). University of Aberdeen. Retrieved from https://abdn.alma.exlibrisgroup.com/view/delivery/44ABE_INST/12153331230005941 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.787434

Chicago Manual of Style (16^th Edition):

Cristofori, Virginia. “Computationally aided rational design, synthesis and evaluation of PFKFB3 ligands for atherosclerotic plaque stabilisation.” 2019. Doctoral Dissertation, University of Aberdeen. Accessed February 27, 2021. https://abdn.alma.exlibrisgroup.com/view/delivery/44ABE_INST/12153331230005941 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.787434.

MLA Handbook (7^th Edition):

Cristofori, Virginia. “Computationally aided rational design, synthesis and evaluation of PFKFB3 ligands for atherosclerotic plaque stabilisation.” 2019. Web. 27 Feb 2021.

Vancouver:

Cristofori V. Computationally aided rational design, synthesis and evaluation of PFKFB3 ligands for atherosclerotic plaque stabilisation. [Internet] [Doctoral dissertation]. University of Aberdeen; 2019. [cited 2021 Feb 27]. Available from: https://abdn.alma.exlibrisgroup.com/view/delivery/44ABE_INST/12153331230005941 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.787434.

Council of Science Editors:

Cristofori V. Computationally aided rational design, synthesis and evaluation of PFKFB3 ligands for atherosclerotic plaque stabilisation. [Doctoral Dissertation]. University of Aberdeen; 2019. Available from: https://abdn.alma.exlibrisgroup.com/view/delivery/44ABE_INST/12153331230005941 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.787434

Northeastern University

21. Teng, Heidi. Biaryl ether and biaryl analogs as cannabinoid receptor ligands.

Degree: PhD, Department of Chemistry and Chemical Biology, 2011, Northeastern University

URL: http://hdl.handle.net/2047/d20001155

► Two cannabinoid receptors (CB1 and CB2) belonging to the superfamily of G-protein coupled receptors (GPCRs) play a vital role in multiple physiological functions. CB1 is… (more)

▼ Two cannabinoid receptors (CB1 and CB2) belonging to the superfamily of G-protein coupled receptors (GPCRs) play a vital role in multiple physiological functions. CB1 is found primarily in the central nervous system (CNS) and CB2 in the periphery. Those compounds that bind to these receptors, irrespective of their structure, are considered cannabinoids. It is because of the widespread receptor distribution and its potential therapeutics that this is an attractive receptor target.; It is the purpose of this work to explore the structural modifications of biaryl ether and biaryl analogs as cannabinoid receptor ligands. Chapter One introduces the relevant background information on the biology, structure and physiology of cannabinoid receptors, ligands, and their therapeutic potential. An overview of the current state of the cannabinoid field is presented.; Chapter Two describes the Structure Activity Relationship studies (SARs) exploring the biaryl ether structure of BAY-59-3074, a novel partial agonist of the CB1/2 receptors. Here the rationale and design of the project is presented. Chapter Three further expands on the SAR of BAY59-3074 by exploring the conformational requirements for CB receptor binding and activation. A series of novel constrained dibenzofuran and dibenzopyran analogs were synthesized using the strategy of conformational restriction as a tool for molecular modification and design. These two chemotypes provide new leads for the development of CB2-selective cannabinergics.; Chapters Four and Five expand further on key compounds identified in Chapter Two. Chapter Four explores the biphenyl structure as CB2 receptor ligands. Chapter Five examines biaryl analogs as inhibitors of the endogenous deactivating protein Fatty Acid Amidase Hydrolase (FAAH).; Lastly, Chapter Six evaluates future directions for continuing investigations into the biaryl ether and biaryl cannabinoid templates. Here we discuss the future of CB therapeutics without CNS effects and consider future work.

Subjects/Keywords: chemistry; cannabinoid receptors; biaryl ether; biaryl analogs; receptor ligands; G proteins; Ligands; Biochemistry

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APA (6^th Edition):

Teng, H. (2011). Biaryl ether and biaryl analogs as cannabinoid receptor ligands. (Doctoral Dissertation). Northeastern University. Retrieved from http://hdl.handle.net/2047/d20001155

Chicago Manual of Style (16^th Edition):

Teng, Heidi. “Biaryl ether and biaryl analogs as cannabinoid receptor ligands.” 2011. Doctoral Dissertation, Northeastern University. Accessed February 27, 2021. http://hdl.handle.net/2047/d20001155.

MLA Handbook (7^th Edition):

Teng, Heidi. “Biaryl ether and biaryl analogs as cannabinoid receptor ligands.” 2011. Web. 27 Feb 2021.

Vancouver:

Teng H. Biaryl ether and biaryl analogs as cannabinoid receptor ligands. [Internet] [Doctoral dissertation]. Northeastern University; 2011. [cited 2021 Feb 27]. Available from: http://hdl.handle.net/2047/d20001155.

Council of Science Editors:

Teng H. Biaryl ether and biaryl analogs as cannabinoid receptor ligands. [Doctoral Dissertation]. Northeastern University; 2011. Available from: http://hdl.handle.net/2047/d20001155

University of North Carolina – Wilmington

22. Gan, Wei. Synthesis and design of fluorescence ligands to act as sensor for zinc.

Degree: 2009, University of North Carolina – Wilmington

URL: http://libres.uncg.edu/ir/listing.aspx?styp=ti&id=1415

► Design and synthesis of ligands to detect low concentrations of Zn2+ in various systems are being explored worldwide. The purpose of this research is to… (more)

Subjects/Keywords: Zinc – Research; Ligands (Biochemistry); Ligands – Synthesis

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APA (6^th Edition):

Gan, W. (2009). Synthesis and design of fluorescence ligands to act as sensor for zinc. (Masters Thesis). University of North Carolina – Wilmington. Retrieved from http://libres.uncg.edu/ir/listing.aspx?styp=ti&id=1415

Chicago Manual of Style (16^th Edition):

Gan, Wei. “Synthesis and design of fluorescence ligands to act as sensor for zinc.” 2009. Masters Thesis, University of North Carolina – Wilmington. Accessed February 27, 2021. http://libres.uncg.edu/ir/listing.aspx?styp=ti&id=1415.

MLA Handbook (7^th Edition):

Gan, Wei. “Synthesis and design of fluorescence ligands to act as sensor for zinc.” 2009. Web. 27 Feb 2021.

Vancouver:

Gan W. Synthesis and design of fluorescence ligands to act as sensor for zinc. [Internet] [Masters thesis]. University of North Carolina – Wilmington; 2009. [cited 2021 Feb 27]. Available from: http://libres.uncg.edu/ir/listing.aspx?styp=ti&id=1415.

Council of Science Editors:

Gan W. Synthesis and design of fluorescence ligands to act as sensor for zinc. [Masters Thesis]. University of North Carolina – Wilmington; 2009. Available from: http://libres.uncg.edu/ir/listing.aspx?styp=ti&id=1415

University of North Carolina – Wilmington

23. Gaver, Charles Richard. The highly preorganized ligands 8-(2-Pyridyl) Quinoline, 2,2'-dipyridyl amine and 1,10-phenanthroline-2, 9-dicarboxylic acid, and their complexing properties with metal ions.

Degree: 2009, University of North Carolina – Wilmington

URL: http://libres.uncg.edu/ir/listing.aspx?styp=ti&id=2061

► Highly preorganized ligands are those that are constrained as the free ligands to be in the conformation required to complex the target metal ion. Such… (more)

▼ Highly preorganized ligands are those that are constrained as the free ligands to be in the conformation required to complex the target metal ion. Such ligands have been shown to form more stable complexes, and display higher metal ion selectivity than less preorganized analogs. These ligands have become of particular interest in a variety of different areas, including biomedical, environmental, nuclear and industrial applications. The preorganized ligands 8-(2-pyridyl)Quinoline (8PQ), 2,2’-dipyridyl amine (DIPY), and 1,10-phenanthroline-2, 9-dicarboxylic acid (PDA) and their complexing properties with metal ions are explored in this project. The interest in 8PQ and DIPY is that they form six-membered chelate rings on complex-formation. Following rules on ligand design1 , ligands that form six-membered chelate rings should show selectivity for smaller metal ions as compared to analogs such as 2,2’-bipyridyl that form five-membered chelate rings.Thus, 8PQ and DIPY can be compared in this regard to BIPY, which forms a fivemembered chelate ring. Titration experiments were carried out on aqueous solutions of these ligands and metal ions in order to determine their formation constants. UV-Vis spectrophotometry was used to monitor the equilibria involved in the formation of metalligand complexes. The log K1 values for the formation of metal-ligand complexes were determined from UV absorbance data as a function of pH, and are reported in 0.1 M NaClO4 at 25.0ºC. Formation constants (log K1, in parentheses) for 8PQ with Cd(II) (2.19), Ca(II) (0), Cu(I) (4.66), Cu(II) (4.37), Ni(II) (3.3), and Zn(II) (3.48); DIPY with Al(III) (0), Cd(II) (2.67), Co(II) (4.36), Cu(II) (7.34), Ga(III) (0), Ni(II) (6.15), and Zn(II) (3.52); and PDA with In(III) (19.78) and UO2 2+ (19.78) are reported. The results are discussed in terms of the role of chelate ring geometry in controlling metal ion selectivity.; Chemistry Organic, Ligands (Biochemistry), Ligands – Synthesis Advisors/Committee Members: Robert Hancock (advisor).

Subjects/Keywords: Chemistry, Organic; Ligands (Biochemistry); Ligands – Synthesis

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Gaver, C. R. (2009). The highly preorganized ligands 8-(2-Pyridyl) Quinoline, 2,2'-dipyridyl amine and 1,10-phenanthroline-2, 9-dicarboxylic acid, and their complexing properties with metal ions. (Masters Thesis). University of North Carolina – Wilmington. Retrieved from http://libres.uncg.edu/ir/listing.aspx?styp=ti&id=2061

Chicago Manual of Style (16^th Edition):

Gaver, Charles Richard. “The highly preorganized ligands 8-(2-Pyridyl) Quinoline, 2,2'-dipyridyl amine and 1,10-phenanthroline-2, 9-dicarboxylic acid, and their complexing properties with metal ions.” 2009. Masters Thesis, University of North Carolina – Wilmington. Accessed February 27, 2021. http://libres.uncg.edu/ir/listing.aspx?styp=ti&id=2061.

MLA Handbook (7^th Edition):

Gaver, Charles Richard. “The highly preorganized ligands 8-(2-Pyridyl) Quinoline, 2,2'-dipyridyl amine and 1,10-phenanthroline-2, 9-dicarboxylic acid, and their complexing properties with metal ions.” 2009. Web. 27 Feb 2021.

Vancouver:

Gaver CR. The highly preorganized ligands 8-(2-Pyridyl) Quinoline, 2,2'-dipyridyl amine and 1,10-phenanthroline-2, 9-dicarboxylic acid, and their complexing properties with metal ions. [Internet] [Masters thesis]. University of North Carolina – Wilmington; 2009. [cited 2021 Feb 27]. Available from: http://libres.uncg.edu/ir/listing.aspx?styp=ti&id=2061.

Council of Science Editors:

Gaver CR. The highly preorganized ligands 8-(2-Pyridyl) Quinoline, 2,2'-dipyridyl amine and 1,10-phenanthroline-2, 9-dicarboxylic acid, and their complexing properties with metal ions. [Masters Thesis]. University of North Carolina – Wilmington; 2009. Available from: http://libres.uncg.edu/ir/listing.aspx?styp=ti&id=2061

Macquarie University

24. Gopalan Nair, Ashwin. Transition metal complexes bearing hemilabile pincer ligands: towards enhanced catalytic activity.

Degree: 2017, Macquarie University

URL: http://hdl.handle.net/1959.14/1273824

►

Empirical thesis.

Chapter 1. Introduction – Chapter 2. Ru(II) complexes of hemilabile pincer ligands for catalysed transfer hydrogenation reactions – Chapter 3. Ni(II) complexes of… (more)

Subjects/Keywords: Transition metal complexes; Ligands (Biochemistry); Biocatalysis; transition metal complexes; hemilabile pincer ligands

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APA (6^th Edition):

Gopalan Nair, A. (2017). Transition metal complexes bearing hemilabile pincer ligands: towards enhanced catalytic activity. (Doctoral Dissertation). Macquarie University. Retrieved from http://hdl.handle.net/1959.14/1273824

Chicago Manual of Style (16^th Edition):

Gopalan Nair, Ashwin. “Transition metal complexes bearing hemilabile pincer ligands: towards enhanced catalytic activity.” 2017. Doctoral Dissertation, Macquarie University. Accessed February 27, 2021. http://hdl.handle.net/1959.14/1273824.

MLA Handbook (7^th Edition):

Gopalan Nair, Ashwin. “Transition metal complexes bearing hemilabile pincer ligands: towards enhanced catalytic activity.” 2017. Web. 27 Feb 2021.

Vancouver:

Gopalan Nair A. Transition metal complexes bearing hemilabile pincer ligands: towards enhanced catalytic activity. [Internet] [Doctoral dissertation]. Macquarie University; 2017. [cited 2021 Feb 27]. Available from: http://hdl.handle.net/1959.14/1273824.

Council of Science Editors:

Gopalan Nair A. Transition metal complexes bearing hemilabile pincer ligands: towards enhanced catalytic activity. [Doctoral Dissertation]. Macquarie University; 2017. Available from: http://hdl.handle.net/1959.14/1273824

25. Gan, Wei. Synthesis and design of fluorescence ligands to act as sensor for zinc.

Degree: 2009, NC Docks

URL: http://libres.uncg.edu/ir/uncw/f/ganw2004-2.pdf

► Design and synthesis of ligands to detect low concentrations of Zn2+ in various systems are being explored worldwide. The purpose of this research is to… (more)

Subjects/Keywords: Zinc – Research; Ligands (Biochemistry); Ligands – Synthesis

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APA (6^th Edition):

Gan, W. (2009). Synthesis and design of fluorescence ligands to act as sensor for zinc. (Thesis). NC Docks. Retrieved from http://libres.uncg.edu/ir/uncw/f/ganw2004-2.pdf

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Gan, Wei. “Synthesis and design of fluorescence ligands to act as sensor for zinc.” 2009. Thesis, NC Docks. Accessed February 27, 2021. http://libres.uncg.edu/ir/uncw/f/ganw2004-2.pdf.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Gan, Wei. “Synthesis and design of fluorescence ligands to act as sensor for zinc.” 2009. Web. 27 Feb 2021.

Vancouver:

Gan W. Synthesis and design of fluorescence ligands to act as sensor for zinc. [Internet] [Thesis]. NC Docks; 2009. [cited 2021 Feb 27]. Available from: http://libres.uncg.edu/ir/uncw/f/ganw2004-2.pdf.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Gan W. Synthesis and design of fluorescence ligands to act as sensor for zinc. [Thesis]. NC Docks; 2009. Available from: http://libres.uncg.edu/ir/uncw/f/ganw2004-2.pdf

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

26. Gaver, Charles Richard. The highly preorganized ligands 8-(2-Pyridyl) Quinoline, 2,2'-dipyridyl amine and 1,10-phenanthroline-2, 9-dicarboxylic acid, and their complexing properties with metal ions.

Degree: 2009, NC Docks

URL: http://libres.uncg.edu/ir/uncw/f/gaverc2008-1.pdf

► Highly preorganized ligands are those that are constrained as the free ligands to be in the conformation required to complex the target metal ion. Such… (more)

Subjects/Keywords: Chemistry, Organic; Ligands (Biochemistry); Ligands – Synthesis

Record Details Similar Records Cite « Share

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APA (6^th Edition):

Gaver, C. R. (2009). The highly preorganized ligands 8-(2-Pyridyl) Quinoline, 2,2'-dipyridyl amine and 1,10-phenanthroline-2, 9-dicarboxylic acid, and their complexing properties with metal ions. (Thesis). NC Docks. Retrieved from http://libres.uncg.edu/ir/uncw/f/gaverc2008-1.pdf

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Gaver, Charles Richard. “The highly preorganized ligands 8-(2-Pyridyl) Quinoline, 2,2'-dipyridyl amine and 1,10-phenanthroline-2, 9-dicarboxylic acid, and their complexing properties with metal ions.” 2009. Thesis, NC Docks. Accessed February 27, 2021. http://libres.uncg.edu/ir/uncw/f/gaverc2008-1.pdf.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Gaver, Charles Richard. “The highly preorganized ligands 8-(2-Pyridyl) Quinoline, 2,2'-dipyridyl amine and 1,10-phenanthroline-2, 9-dicarboxylic acid, and their complexing properties with metal ions.” 2009. Web. 27 Feb 2021.

Vancouver:

Gaver CR. The highly preorganized ligands 8-(2-Pyridyl) Quinoline, 2,2'-dipyridyl amine and 1,10-phenanthroline-2, 9-dicarboxylic acid, and their complexing properties with metal ions. [Internet] [Thesis]. NC Docks; 2009. [cited 2021 Feb 27]. Available from: http://libres.uncg.edu/ir/uncw/f/gaverc2008-1.pdf.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Gaver CR. The highly preorganized ligands 8-(2-Pyridyl) Quinoline, 2,2'-dipyridyl amine and 1,10-phenanthroline-2, 9-dicarboxylic acid, and their complexing properties with metal ions. [Thesis]. NC Docks; 2009. Available from: http://libres.uncg.edu/ir/uncw/f/gaverc2008-1.pdf

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

27. Sukanpirom Siritam. Synthesis and characterization of ruthenium(II) complexes with 2,6-(diphenylazo) pyridine ligand and 4,4'Dicarboxy-2,2'-bipyridine ligand .

Degree: คณะวิทยาศาสตร์ ภาควิชาเคมี, 2013, Prince of Songkla University

URL: http://kb.psu.ac.th/psukb/handle/2010/9334

Subjects/Keywords: Ruthenium compounds Synthesis; Ligands (Biochemistry)

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APA (6^th Edition):

Siritam, S. (2013). Synthesis and characterization of ruthenium(II) complexes with 2,6-(diphenylazo) pyridine ligand and 4,4'Dicarboxy-2,2'-bipyridine ligand . (Thesis). Prince of Songkla University. Retrieved from http://kb.psu.ac.th/psukb/handle/2010/9334

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Siritam, Sukanpirom. “Synthesis and characterization of ruthenium(II) complexes with 2,6-(diphenylazo) pyridine ligand and 4,4'Dicarboxy-2,2'-bipyridine ligand .” 2013. Thesis, Prince of Songkla University. Accessed February 27, 2021. http://kb.psu.ac.th/psukb/handle/2010/9334.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Siritam, Sukanpirom. “Synthesis and characterization of ruthenium(II) complexes with 2,6-(diphenylazo) pyridine ligand and 4,4'Dicarboxy-2,2'-bipyridine ligand .” 2013. Web. 27 Feb 2021.

Vancouver:

Siritam S. Synthesis and characterization of ruthenium(II) complexes with 2,6-(diphenylazo) pyridine ligand and 4,4'Dicarboxy-2,2'-bipyridine ligand . [Internet] [Thesis]. Prince of Songkla University; 2013. [cited 2021 Feb 27]. Available from: http://kb.psu.ac.th/psukb/handle/2010/9334.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Siritam S. Synthesis and characterization of ruthenium(II) complexes with 2,6-(diphenylazo) pyridine ligand and 4,4'Dicarboxy-2,2'-bipyridine ligand . [Thesis]. Prince of Songkla University; 2013. Available from: http://kb.psu.ac.th/psukb/handle/2010/9334

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of Johannesburg

28. Malan, Frederick Pieter. The synthetic, structural and kinetic investigation of novel neutral and cationic Ruthenium(ll) complexes.

Degree: 2014, University of Johannesburg

URL: http://hdl.handle.net/10210/11348

M.Sc. (Chemistry)

Please refer to full text to view abstract

Subjects/Keywords: Ruthenium compounds; Ligands (Biochemistry)

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Malan, F. P. (2014). The synthetic, structural and kinetic investigation of novel neutral and cationic Ruthenium(ll) complexes. (Thesis). University of Johannesburg. Retrieved from http://hdl.handle.net/10210/11348

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Malan, Frederick Pieter. “The synthetic, structural and kinetic investigation of novel neutral and cationic Ruthenium(ll) complexes.” 2014. Thesis, University of Johannesburg. Accessed February 27, 2021. http://hdl.handle.net/10210/11348.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Malan, Frederick Pieter. “The synthetic, structural and kinetic investigation of novel neutral and cationic Ruthenium(ll) complexes.” 2014. Web. 27 Feb 2021.

Vancouver:

Malan FP. The synthetic, structural and kinetic investigation of novel neutral and cationic Ruthenium(ll) complexes. [Internet] [Thesis]. University of Johannesburg; 2014. [cited 2021 Feb 27]. Available from: http://hdl.handle.net/10210/11348.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Malan FP. The synthetic, structural and kinetic investigation of novel neutral and cationic Ruthenium(ll) complexes. [Thesis]. University of Johannesburg; 2014. Available from: http://hdl.handle.net/10210/11348

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Rhodes University

29. Kapp, Eugene Anthony. Isolation, purification and effect of ligands on the nicotinic cholinergic receptor.

Degree: Faculty of Science, Chemistry and Biochemistry, 1989, Rhodes University

URL: http://hdl.handle.net/10962/d1018235

► The nicotinic cholinergic receptor protein of the fish electric organ, Torpedo fuscomaculata, has been isolated, purified and shown to represent a true model for the… (more)

▼ The nicotinic cholinergic receptor protein of the fish electric organ, Torpedo fuscomaculata, has been isolated, purified and shown to represent a true model for the nAChR from other species and higher vertebrates. It is an integral membrane protein composed of four different subunits, tightly associated with other functional, but non-specific proteins. Purification of the nicotinic cholinergic receptor by chromatofocusing demonstrates an improved method over that of affinity and ion-exchange chromatography. Gel chromatography and SDS-polyacrylamide gel electrophoresis show evidence of four subunits; a(40-44 kDa), 6(53 kDa ),'Y(63 kDa) and 6(66 kDa) despite some degradation of receptor molecules by intracellular proteases. Spectrophotometric and fluorimetric studies of receptor-ligand interactions, show the functional and chemical integrity of the receptor to remain intact after solubilisation. The effect of cholinergic ligands on purified receptor preparations indicate quenching of the intrinsic fluorescence of the receptor. Agonists, like acetylcholine, bind and cause local conformational transitions, changing the active region from a hydrophobic to a hydrophilic environment. This phenomenon is illustrated by the 10-fold increase in fluorescence when the receptor is in a desensitised state. Antagonists, such as d-Tubocurarine, block this conformational transition. In vitro rectus abdominis muscle preparations . show the nitrosamines, dimethylnitrosamine and diphenylnitrosamine, to be true agonists of the nAChR. However their low affinity and specificity for the receptor precludes them as photoaffmity labelling agents. Photoactivation of dimethylnitrosamine occurs when associated with an acidic hydrogen at the active site of the receptor, suggesting energy-transfer labelling to be more facile than photoaffmity labelling. The membrane-bound receptor, in the presence of these nitrosamines, undergoes conformational transitions regulating the opening and closing of the ion-channel. Desensitisation and receptor activation are shown to involve one and the same molecular transition.

Subjects/Keywords: Ligands (Biochemistry); Nicotinic receptors

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APA (6^th Edition):

Kapp, E. A. (1989). Isolation, purification and effect of ligands on the nicotinic cholinergic receptor. (Thesis). Rhodes University. Retrieved from http://hdl.handle.net/10962/d1018235

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Kapp, Eugene Anthony. “Isolation, purification and effect of ligands on the nicotinic cholinergic receptor.” 1989. Thesis, Rhodes University. Accessed February 27, 2021. http://hdl.handle.net/10962/d1018235.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Kapp, Eugene Anthony. “Isolation, purification and effect of ligands on the nicotinic cholinergic receptor.” 1989. Web. 27 Feb 2021.

Vancouver:

Kapp EA. Isolation, purification and effect of ligands on the nicotinic cholinergic receptor. [Internet] [Thesis]. Rhodes University; 1989. [cited 2021 Feb 27]. Available from: http://hdl.handle.net/10962/d1018235.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Kapp EA. Isolation, purification and effect of ligands on the nicotinic cholinergic receptor. [Thesis]. Rhodes University; 1989. Available from: http://hdl.handle.net/10962/d1018235

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Columbia University

30. Matragrano, Joseph Antonio. Engineering yeast G protein-coupled receptors for biosensor development.

Degree: 2020, Columbia University

URL: https://doi.org/10.7916/d8-dyv1-7e24

► The ability to sense and respond to environmental stimuli is essential for the survival of all living things. As a result, nature has evolved an… (more)

Subjects/Keywords: Yeast; Eukaryotic cells; Pathogenic fungi; Ligands (Biochemistry); G proteins – Receptors

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Matragrano, J. A. (2020). Engineering yeast G protein-coupled receptors for biosensor development. (Doctoral Dissertation). Columbia University. Retrieved from https://doi.org/10.7916/d8-dyv1-7e24

Chicago Manual of Style (16^th Edition):

Matragrano, Joseph Antonio. “Engineering yeast G protein-coupled receptors for biosensor development.” 2020. Doctoral Dissertation, Columbia University. Accessed February 27, 2021. https://doi.org/10.7916/d8-dyv1-7e24.

MLA Handbook (7^th Edition):

Matragrano, Joseph Antonio. “Engineering yeast G protein-coupled receptors for biosensor development.” 2020. Web. 27 Feb 2021.

Vancouver:

Matragrano JA. Engineering yeast G protein-coupled receptors for biosensor development. [Internet] [Doctoral dissertation]. Columbia University; 2020. [cited 2021 Feb 27]. Available from: https://doi.org/10.7916/d8-dyv1-7e24.

Council of Science Editors:

Matragrano JA. Engineering yeast G protein-coupled receptors for biosensor development. [Doctoral Dissertation]. Columbia University; 2020. Available from: https://doi.org/10.7916/d8-dyv1-7e24

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