Consensus superiority of the pharmacophore-based alignment, over maximum common substructure (MCS): 3D-QSAR studies on carbamates as acetylcholinesterase inhibitors

Journal of Chemical Information and Modeling

Volumn 49, Issue 6, 2009, Pages 1590-1601

  Chaudhaery, Shailendra S ^a   Roy, Kuldeep K ^a   Saxena, Anil K ^a  

^a CENTRAL DRUG RESEARCH INSTITUTE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

3D MODELING; ALIGNMENT; ENZYME INHIBITION; HYDROPHOBICITY; MOLECULAR GRAPHICS; ORGANIC COMPOUNDS; PHARMACODYNAMICS;

ACETYLCHOLINESTERASE INHIBITORS; ALIGNMENT METHODS; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE-MOLECULAR-SIMILARITY-INDICES ANALYSIS; HYDROPHOBIC AMINO ACIDS; INHIBITION ACTIVITY; INHIBITORY ACTIVITY; MODEL DEVELOPMENT;

COMPUTATIONAL CHEMISTRY;

ACETYLCHOLINESTERASE; CARBAMIC ACID DERIVATIVE; CHOLINESTERASE INHIBITOR;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; HYDROPHOBICITY; IC 50; METABOLISM; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATIC ELECTRICITY;

ACETYLCHOLINESTERASE; CARBAMATES; CHOLINESTERASE INHIBITORS; HYDROPHOBICITY; INHIBITORY CONCENTRATION 50; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; STATIC ELECTRICITY;

EID: 67650094013     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci900049e     Document Type: Article

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