Structure-based quantitative structure-activity relationship studies of checkpoint kinase 1 inhibitors

Journal of Computational Chemistry

Volumn 31, Issue 15, 2010, Pages 2783-2793

  Du, Juan ^a,b   Xi, Lili ^a,b   Lei, Beilei ^a,b   Lu, Jing ^a,b   Li, Jiazhong ^a,b   Liu, Huanxiang ^b   Yao, Xiaojun ^a,b  

^a LANZHOU UNIVERSITY   (China)

^b LANZHOU UNIVERSITY   (China)

Author keywords

checkpoint kinase 1; comparative molecular field analysis; genetic algorithm multiple linear regression; molecular docking; quantitative structure activity relationship

Indexed keywords

3D-QSAR; ACTIVE SITE; BINDING MODES; CHECKPOINT KINASE 1; COMPARATIVE MOLECULAR FIELD ANALYSIS; DESCRIPTORS; INHIBITORY ACTIVITY; LIGAND-RECEPTOR INTERACTIONS; MOLECULAR DOCKING; MULTIPLE LINEAR REGRESSIONS; QSAR MODEL; QSAR STUDIES; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP STUDIES; SQUARED CORRELATION COEFFICIENTS; STRUCTURAL FEATURE; STRUCTURE-BASED; THREE-DIMENSIONAL QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

BINDING ENERGY; DOCKING; GENETIC ALGORITHMS; LIGANDS; LINEAR REGRESSION; MOLECULAR GRAPHICS; MOLECULAR MODELING;

THREE DIMENSIONAL;

CHECKPOINT KINASE 1; PROTEIN KINASE; PROTEIN KINASE INHIBITOR;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; METABOLISM; PROTEIN BINDING; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATIC ELECTRICITY; STATISTICAL MODEL;

ALGORITHMS; LINEAR MODELS; MODELS, MOLECULAR; PROTEIN BINDING; PROTEIN KINASE INHIBITORS; PROTEIN KINASES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; STATIC ELECTRICITY;

EID: 78149421772     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21571     Document Type: Article

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