Discrimination of agonists versus antagonists of nicotinic ligands based on docking onto AChBP structures

Journal of Molecular Graphics and Modelling

Volumn 30, Issue , 2011, Pages 100-109

  Taly, Antoine ^a   Colas, Claire ^b   Malliavin, Thérèse ^b   Blondel, Arnaud ^b   Nilges, Michael ^b   Corringer, Pierre Jean ^c   Joseph, Delphine ^d  

^a Faculté de Pharmacie   (France)

^b INSTITUT PASTEUR   (France)

^c CNRS   (France)

^d UNIVERSITÉ PARIS SACLAY   (France)

Author keywords

Drug design; Nicotinic acetylcholine receptor; Virtual screening

Indexed keywords

BINDING SITES; BINS; PROTEINS; TOBACCO; X RAY CRYSTALLOGRAPHY;

ACETYLCHOLINE-BINDING PROTEINS; DRUG DESIGN; EXTRACELLULAR DOMAINS; HIGH RESOLUTION; NICOTINIC ACETYLCHOLINE RECEPTORS; NICOTINIC AGONISTS; VIRTUAL SCREENING; X-RAY STRUCTURE;

LIGANDS;

1,1 DIMETHYL 4 PHENYLPIPERAZINIUM; 3 (2 AZETIDINYLMETHOXY)PYRIDINE; 3 (2,4 DIMETHOXYBENZYLIDENE)ANABASEINE; 3 METHYL 5 (1 METHYL 2 PYRROLIDINYL)ISOXAZOLE; 4 CHLORO N (3 QUINUCLIDINYL)BENZAMIDE; ACETYLCHOLINE; ACETYLCHOLINE BINDING PROTEIN; ANATOXIN; BINDING PROTEIN; CARBACHOL; CYTISINE; EPIBATIDINE; EPIBOXIDINE; FERUGININE; IMIDACLOPRID; LIU 28; LIU 48; LIU 5; LOBELINE; LOPHOTOXIN; NICOTINE; NICOTINIC AGENT; NICOTINIC RECEPTOR; NICOTINIC RECEPTOR BLOCKING AGENT; PANCURONIUM; ROCURONIUM; TROPISETRON; TUBOCURARINE CHLORIDE; UNCLASSIFIED DRUG; UNINDEXED DRUG; VARENICLINE; VECURONIUM;

ARTICLE; AUTOGRAPHA CALIFORNICA; BINDING SITE; CRYSTALLOGRAPHY; DRUG RECEPTOR BINDING; LIGAND BINDING; MOLECULAR DOCKING; PRIORITY JOURNAL; PROTEIN STRUCTURE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; X RAY;

EID: 84855306225     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2011.06.008     Document Type: Article

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