Combined 3D-QSAR modeling and molecular docking study on quinoline derivatives as inhibitors of p-selectin

Chemical Biology and Drug Design

Volumn 74, Issue 6, 2009, Pages 596-610

  Zeng, Huahui ^a   Cao, Ran ^a   Zhang, Huabei ^a  

^a BEIJING UNIVERSITY OF POSTS AND TELECOMMUNICATIONS   (China)

Author keywords

3D QSAR; CoMFA; CoMSIA; Docking; Inhibitor; P selectin

Indexed keywords

METHAQUALONE; PADGEM PROTEIN; QUINOLINE DERIVATIVE;

ARTICLE; BIOLOGICAL ACTIVITY; CHEMICAL STRUCTURE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; DRUG BINDING; DRUG DESIGN; DRUG STRUCTURE; MOLECULAR DOCKING; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; X RAY CRYSTALLOGRAPHY;

ATHEROSCLEROSIS; BINDING SITES; COMPUTER SIMULATION; HUMANS; MODELS, CHEMICAL; P-SELECTIN; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; QUINOLINES; SOFTWARE;

EID: 70350524086     PISSN: 17470277     EISSN: None     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2009.00893.x     Document Type: Article

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