Structural Requirements of Isoquinolones as Novel Selective c-Jun N-terminal Kinase 1 Inhibitors: 2D and 3D QSAR Analyses

Chemical Biology and Drug Design

Volumn 77, Issue 4, 2011, Pages 248-254

  Du, Juan ^a   Xi, Lili ^a   Lei, Beilei ^a   Liu, Huanxiang ^a   Yao, Xiaojun ^a  

^a LANZHOU UNIVERSITY   (China)

Author keywords

C Jun N terminal kinase 1; Comparative molecular field analysis; Docking; Genetic algorithm multiple linear regression; Isoquinolones

Indexed keywords

C JUN N TERMINAL KINASE 1 INHIBITOR; ISOQUINOLINE DERIVATIVE; STRESS ACTIVATED PROTEIN KINASE INHIBITOR; UNCLASSIFIED DRUG;

ARTICLE; COMPARATIVE MOLECULAR FIELD ANALYSIS; DRUG BINDING; DRUG CONFORMATION; DRUG INHIBITION; DRUG STRUCTURE; GENETIC ALGORITHM; MOLECULAR DOCKING; MOLECULAR MODEL; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; THREE DIMENSIONAL IMAGING; VALIDATION PROCESS;

COMPUTER SIMULATION; DRUG DESIGN; ENZYME ACTIVATION; ENZYME INHIBITORS; ISOQUINOLINES; MITOGEN-ACTIVATED PROTEIN KINASE 8; MODELS, MOLECULAR; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 79952611098     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2010.01068.x     Document Type: Article

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