Modeling binding modes of α7 nicotinic acetylcholine receptor with ligands: The roles of Gln117 and other residues of the receptor in agonist binding

Journal of Medicinal Chemistry

Volumn 51, Issue 20, 2008, Pages 6293-6302

  Huang, Xiaoqin ^a   Zheng, Fang ^a   Stokes, Clare ^b   Papke, Roger L ^b   Zhan, Chang Guo ^a  

^a University of Kentucky   (United States)

^b UNIVERSITY OF FLORIDA COLLEGE OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

3 (2,4 DIMETHOXYBENZYLIDENE)ANABASEINE; 4 HYDROXY 3 (2,4 DIMETHOXYBENZYLIDENE)ANABASEINE; ACETYLCHOLINE DERIVATIVE; BUNGAROTOXIN RECEPTOR; BUNGAROTOXIN RECEPTOR AGONIST; NICOTINIC AGENT; SPIRO(1 AZABICYCLO[2.2.2]OCTANE 3,5' OXAZOLIDIN 2' ONE); SPIRO[1 AZABICYCLO[2.2.2]OCTANE 3,2' THIAZOLIDINE] 2' ONE; UNCLASSIFIED DRUG;

AMINO ACID SEQUENCE; ANIMAL CELL; ARTICLE; DRUG RECEPTOR BINDING; DRUG SELECTIVITY; FEMALE; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR MODEL; NONHUMAN; OOCYTE; SITE DIRECTED MUTAGENESIS; STRUCTURE ACTIVITY RELATION; XENOPUS LAEVIS;

COMPUTER SIMULATION; GLUTAMINE; HUMANS; LIGANDS; MODELS, BIOLOGICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; MUTATION; NICOTINIC AGONISTS; PROTEIN BINDING; RECEPTORS, NICOTINIC; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 54549103515     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm800607u     Document Type: Article

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49. Assuming that the receptor-ACh binding mode is similar to the AChBP-carbamylcholine binding mode in the X-ray crystal structure reported in ref 25. ACh is expected to be far away from Gln117 of the α7 receptor.