Theoretical Studies of QSAR and Molecular Design on a Novel Series of Ethynyl-3-Quinolinecarbonitriles as Src Inhibitors

Chemical Biology and Drug Design

Volumn 80, Issue 1, 2012, Pages 134-147

  Fang, Dan Qing ^a   Wu, Wen Juan ^b   Zhang, Rong ^b   Zeng, Guo Hua ^b   Zheng, Kang Cheng ^c  

^a GUANGZHOU MEDICAL UNIVERSITY   (China)

^b GUANGDONG PHARMACEUTICAL UNIVERSITY   (China)

^c SUN YAT SEN UNIVERSITY   (China)

Author keywords

C Src; Comparative molecular field analysis; Docking study; Ethynyl 3 quinolinecarbonitriles; Quantitative structure activity relationship

Indexed keywords

ETHYNYL 3 QUINOLINECARBONITRILE; PROTEIN KINASE INHIBITOR; UNCLASSIFIED DRUG;

ANTINEOPLASTIC ACTIVITY; ARTICLE; COMPARATIVE MOLECULAR FIELD ANALYSIS; DRUG DESIGN; ENZYME INHIBITION; HUMAN; IC 50; MOLECULAR DOCKING; MOLECULAR MECHANICS; PREDICTIVE VALUE; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN CONFORMATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

BINDING SITES; MOLECULAR DYNAMICS SIMULATION; NITRILES; PROTEIN KINASE INHIBITORS; PROTEIN STRUCTURE, TERTIARY; PROTEIN-TYROSINE KINASES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; QUINOLINES;

EID: 84862152116     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2012.01385.x     Document Type: Article

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