(Q34796673)

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Modeling binding modes of alpha7 nicotinic acetylcholine receptor with ligands: the roles of Gln117 and other residues of the receptor in agonist binding

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Europe PubMed Central

PubMed publication ID

4 August 2017

Modeling binding modes of alpha7 nicotinic acetylcholine receptor with ligands: the roles of Gln117 and other residues of the receptor in agonist binding (English)

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Europe PubMed Central

PubMed publication ID

4 August 2017

author name string

Xiaoqin Huang

1

1 reference

Europe PubMed Central

PubMed publication ID

4 August 2017

Fang Zheng

2

1 reference

Europe PubMed Central

PubMed publication ID

4 August 2017

Clare Stokes

3

1 reference

Europe PubMed Central

PubMed publication ID

4 August 2017

Roger L Papke

4

1 reference

Europe PubMed Central

PubMed publication ID

4 August 2017

Chang-Guo Zhan

5

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Europe PubMed Central

PubMed publication ID

4 August 2017

language of work or name

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publication date

1 October 2008

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Europe PubMed Central

PubMed publication ID

4 August 2017

Journal of Medicinal Chemistry

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Europe PubMed Central

PubMed publication ID

4 August 2017

51

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Europe PubMed Central

PubMed publication ID

4 August 2017

20

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Europe PubMed Central

PubMed publication ID

4 August 2017

6293-6302

1 reference

Europe PubMed Central

PubMed publication ID

4 August 2017

Most efficient cocaine hydrolase designed by virtual screening of transition states

1 reference

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Modeling the catalysis of anti-cocaine catalytic antibody: competing reaction pathways and free energy barriers

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Free energy perturbation (FEP) simulation on the transition states of cocaine hydrolysis catalyzed by human butyrylcholinesterase and its mutants

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Crystal structure of the extracellular domain of nAChR alpha1 bound to alpha-bungarotoxin at 1.94 A resolution

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Modeling subtype-selective agonists binding with alpha4beta2 and alpha7 nicotinic acetylcholine receptors: effects of local binding and long-range electrostatic interactions

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Spectroscopic analysis of benzylidene anabaseine complexes with acetylcholine binding proteins as models for ligand-nicotinic receptor interactions

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Structural and functional characterization of human microsomal prostaglandin E synthase-1 by computational modeling and site-directed mutagenesis

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Modeling multiple species of nicotine and deschloroepibatidine interacting with alpha4beta2 nicotinic acetylcholine receptor: from microscopic binding to phenomenological binding affinity

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Structures of Aplysia AChBP complexes with nicotinic agonists and antagonists reveal distinctive binding interfaces and conformations

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Refined structure of the nicotinic acetylcholine receptor at 4A resolution

1 reference

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Cys-loop receptors: new twists and turns

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Nicotine and carbamylcholine binding to nicotinic acetylcholine receptors as studied in AChBP crystal structures

1 reference

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AR-R 17779 improves social recognition in rats by activation of nicotinic alpha7 receptors

1 reference

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Fundamental reaction mechanism for cocaine hydrolysis in human butyrylcholinesterase

1 reference

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Amyloid beta(1-42) peptide alters the gating of human and mouse alpha-bungarotoxin-sensitive nicotinic receptors.

1 reference

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Comparative pharmacology of rat and human alpha7 nAChR conducted with net charge analysis

1 reference

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(-)-Spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidin-2'-one], a conformationally restricted analogue of acetylcholine, is a highly selective full agonist at the alpha 7 nicotinic acetylcholine receptor

1 reference

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The brain alpha7 nicotinic receptor may be an important therapeutic target for the treatment of Alzheimer's disease: studies with DMXBA (GTS-21).

1 reference

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GTS-21, a mixed nicotinic receptor agonist/antagonist, does not affect the nicotine cue

1 reference

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Functional characterization of the novel neuronal nicotinic acetylcholine receptor ligand GTS-21 in vitro and in vivo

1 reference

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Functional significance of aromatic amino acids from three peptide loops of the alpha 7 neuronal nicotinic receptor site investigated by site-directed mutagenesis

1 reference

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Understanding microscopic binding of human microsomal prostaglandin E synthase-1 with substrates and inhibitors by molecular modeling and dynamics simulation.

1 reference

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The alpha7 nicotinic receptor agonist 4OH-GTS-21 protects axotomized septohippocampal cholinergic neurons in wild type but not amyloid-overexpressing transgenic mice

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Reversal of agonist selectivity by mutations of conserved amino acids in the binding site of nicotinic acetylcholine receptors.

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Influence of agonists and antagonists on the segmental motion of residues near the agonist binding pocket of the acetylcholine-binding protein

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Selective modulation of neuronal nicotinic acetylcholine receptor channel subunits by Go-protein subunits.

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The structural basis for GTS-21 selectivity between human and rat nicotinic alpha7 receptors

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Effects at a distance in alpha 7 nAChR selective agonists: benzylidene substitutions that regulate potency and efficacy

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Hydroxy metabolites of the Alzheimer's drug candidate 3-[(2,4-dimethoxy)benzylidene]-anabaseine dihydrochloride (GTS-21): their molecular properties, interactions with brain nicotinic receptors, and brain penetration

1 reference

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Agonist-induced conformational changes in the extracellular domain of alpha 7 nicotinic acetylcholine receptors

1 reference

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Regulation of neuronal function by choline and 4OH-GTS-21 through alpha 7 nicotinic receptors

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Agonist activation and alpha-bungarotoxin inhibition of wild type and mutant alpha7 nicotinic acetylcholine receptors

1 reference

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Characterization of a series of anabaseine-derived compounds reveals that the 3-(4)-dimethylaminocinnamylidine derivative is a selective agonist at neuronal nicotinic alpha 7/125I-alpha-bungarotoxin receptor subtypes.

1 reference

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Improved learning and memory in aged rats with chronic administration of the nicotinic receptor agonist GTS-21.

1 reference

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26 October 2018

Identifiers

10.1021/JM800607U

1 reference

Europe PubMed Central

PubMed publication ID

4 August 2017

PMC publication ID

1 reference

Europe PubMed Central

PubMed publication ID

4 August 2017

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

4 August 2017

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