3D-QSAR and 3D-QSSR studies of thieno[2,3-d]pyrimidin-4-yl hydrazone analogues as CDK4 inhibitors by CoMFA analysis

Acta Pharmacologica Sinica

Volumn 35, Issue 1, 2014, Pages 151-160

  Cai, Bao Qin ^a   Jin, Hai Xiao ^a   Yan, Xiao Jun ^a   Zhu, Peng ^a   Hu, Gui Xiang ^b  

^a NINGBO UNIVERSITY   (China)

^b ZHEJIANG UNIVERSITY   (China)

Author keywords

3D QSAR; 3D QSSR; CoMFA; cyclin dependent kinase 2; cyclin dependent kinase 4

Indexed keywords

CYCLIN DEPENDENT KINASE 4 INHIBITOR; CYCLIN DEPENDENT KINASE INHIBITOR; ENFLURANE; HYDRAZONE DERIVATIVE; THIENO[2,3 D]PYRIMIDIN 4 YL HYDRAZINE; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; BINDING SITE; COMPARATIVE MOLECULAR FIELD ANALYSIS; CONTROLLED STUDY; DRUG DESIGN; DRUG SELECTIVITY; DRUG SYNTHESIS; HYDROGEN BOND; MOLECULAR DOCKING; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STRUCTURE ACTIVITY RELATION; THREE DIMENSIONAL QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; THREE DIMENTIONAL QUANTITATIVE STRUCTURE SELECTIVITY RELATIONSHIP;

BINDING SITES; CRYSTALLOGRAPHY, X-RAY; CYCLIN-DEPENDENT KINASE 4; PROTEIN STRUCTURE, SECONDARY; PROTEIN STRUCTURE, TERTIARY; PYRIMIDINES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84891755989     PISSN: 16714083     EISSN: 17457254     Source Type: Journal    
DOI: 10.1038/aps.2013.105     Document Type: Article

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