Molecular-docking-guided 3D-QSAR studies of substituted isoquinoline-1,3-(2H,4H)-diones as cyclin-dependent kinase 4 (CDK4) inhibitors

Journal of Molecular Modeling

Volumn 16, Issue 2, 2010, Pages 163-173

  Lu, Xiao Yun ^a   Chen, Ya Dong ^a   Sun, Ni Yue ^a   Jiang, Yong Jun ^b   You, Qi Dong ^a  

^a CHINA PHARMACEUTICAL UNIVERSITY   (China)

^b ZHEJIANG UNIVERSITY   (China)

Author keywords

3D QSAR; Cyclin dependent kinase 4 (CDK4); Homology modeling; Isoquinoline 1,3 (2H,4H) diones; Molecular docking

Indexed keywords

6 ACETYL 8 CYCLOPENTYL 5 METHYL 2 [5 (1 PIPERAZINYL) 2 PYRIDINYLAMINO] 8H PYRIDO[2,3 D]PYRIMIDIN 7 ONE; 7 HYDROXYSTAUROSPORINE; ADENOSINE TRIPHOSPHATE; CYCLIN DEPENDENT KINASE 4; CYCLIN DEPENDENT KINASE INHIBITOR; FLAVOPIRIDOL; ISOQUINOLINE DERIVATIVE; N [5 (5 TERT BUTYL 2 OXAZOLYLMETHYLTHIO) 2 THIAZOLYL]ISONIPECOTAMIDE; ROSCOVITINE;

ARTICLE; BINDING SITE; CELL CYCLE PROGRESSION; CELL PROLIFERATION; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; CONTROLLED STUDY; DRUG CONFORMATION; DRUG STRUCTURE; ENZYME INHIBITION; ENZYME REGULATION; MALIGNANT NEOPLASTIC DISEASE; MOLECULAR DOCKING; MOLECULAR MODEL; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SCORING SYSTEM; THREE DIMENSIONAL IMAGING;

COMPUTER SIMULATION; CYCLIN-DEPENDENT KINASE 4; ENZYME INHIBITORS; HUMANS; ISOQUINOLINES; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 75949093542     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-009-0529-7     Document Type: Article

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