Three-dimensional quantitative structure-activity relationship (3D-QSAR) analyses of choline acetyltransferase inhibitors

Journal of Molecular Graphics and Modelling

Volumn 23, Issue 1, 2004, Pages 69-76

  Chandrasekaran, Vasudevan ^a   McGaughey, Georgia B ^b   Cavallito, Chester J ^c   Bowen, J Phillip ^a  

^a UNIVERSITY OF GEORGIA   (United States)

^b MERCK RESEARCH LABORATORIES   (United States)

^c UNIVERSITY OF NORTH CAROLINA   (United States)

Author keywords

3D QSAR; Choline acetyltransferase inhibitors; CoMFA; CoMSIA; Molecular mechanics

Indexed keywords

MOLECULAR FIELD ANALYSIS; MOLECULAR MECHANICS;

CONFORMATIONS; ENZYME INHIBITION; MATHEMATICAL MODELS; MOLECULAR STRUCTURE;

ENZYMES;

ACYLTRANSFERASE INHIBITOR; CHOLINE ACETYLTRANSFERASE; PYRIDINIUM DERIVATIVE;

ARTICLE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; DRUG CONFORMATION; IC 50; MATHEMATICAL ANALYSIS; MOLECULAR MECHANICS; PRIORITY JOURNAL; QUANTITATIVE ANALYSIS; STRUCTURE ACTIVITY RELATION;

CHOLINE O-ACETYLTRANSFERASE; ENZYME INHIBITORS; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; PYRIDINIUM COMPOUNDS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 4344649747     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2004.04.002     Document Type: Article

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