QSAR study of a large set of 3-pyridyl ethers as ligands of the α4β2 nicotinic acetylcholine receptor

Journal of Molecular Graphics and Modelling

Volumn 26, Issue 1, 2007, Pages 226-235

  Zhang, Huabei ^a   Li, Hua ^b   Ma, Qinqin ^a  

^a BEIJING NORMAL UNIVERSITY   (China)

^b NORTHWEST INSTITUTE OF NUCLEAR TECHNOLOGY   (China)

Author keywords

4 2; 3D QSAR; CoMFA; CoMSIA; Ligand; nAChRs; Pyridyl ether

Indexed keywords

COMPARATIVE MOLECULAR FIELD ANALYSIS (COMFA); COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS (COMSIA) TECHNIQUES; NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR (NNACHR);

ACETIC ACID; CORRELATION METHODS; HYDROGEN BONDS; LIGANDS; MOLECULAR DYNAMICS;

ETHERS;

3 PYRIDYL ETHER DERIVATIVE; NICOTINIC RECEPTOR; NICOTINIC RECEPTOR ALPHA4BETA2; PYRIDINE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; CORRELATION COEFFICIENT; DRUG STRUCTURE; HYDROGEN BOND; LIGAND BINDING; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

BINDING SITES; COMPUTER SIMULATION; DATABASES, FACTUAL; ELECTROSTATICS; ETHERS; LEAST-SQUARES ANALYSIS; LIGANDS; MODELS, MOLECULAR; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTORS, NICOTINIC;

EID: 34347231252     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2006.11.005     Document Type: Article

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