3D-QSAR studies of Checkpoint Kinase Weel inhibitors based on molecular docking, CoMFA and CoMSIA

European Journal of Medicinal Chemistry

Volumn 43, Issue 5, 2008, Pages 925-938

  Yi, Ping ^a,b   Fang, Xin ^a,b   Qiu, Minghua ^a  

^a KUNMING INSTITUTE OF BOTANY   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

3D QSAR; Checkpoint Kinase Weel; CoMFA; CoMSIA; GOLD

Indexed keywords

4 PHENYLPYRROLO[3,4 C]CARBAZOLE 1,3(2H,6H)DIONE; CHECKPOINT KINASE WEEL; PROTEIN KINASE; PROTEIN KINASE INHIBITOR;

ARTICLE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; DRUG CONFORMATION; DRUG POTENCY; DRUG PROTEIN BINDING; DRUG SYNTHESIS; ENZYME INHIBITION; IC 50; MOLECULAR DOCKING; PARTIAL LEAST SQUARES REGRESSION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; VALIDATION PROCESS;

BINDING SITES; CARBAZOLES; ELECTROSTATICS; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PROTEIN BINDING; PROTEIN-TYROSINE KINASES; PYRROLES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 42949138050     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2007.06.021     Document Type: Article

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