Structural requirements of pyrido[2,3-d]pyrimidin-7-one as CDK4/D inhibitors: 2D autocorrelation, CoMFA and CoMSIA analyses

Bioorganic and Medicinal Chemistry

Volumn 16, Issue 11, 2008, Pages 6103-6115

  Caballero, Julio ^a   Fernández, Michael ^b,c   González Nilo, Fernando D ^a  

^a UNIVERSIDAD DE TALCA   (Chile)

^b UNIVERSITY OF MATANZAS   (Cuba)

^c KYUSHU INSTITUTE OF TECHNOLOGY   (Japan)

Author keywords

2D autocorrelation space; Bayesian regularized genetic neural networks (BRGNN); CoMFA; CoMSIA; Cyclin dependent kinase inhibitors; QSAR analysis

Indexed keywords

7 HYDROXYSTAUROSPORINE; CYCLIN D; CYCLIN DEPENDENT KINASE 4; CYCLIN DEPENDENT KINASE INHIBITOR; N [5 (5 TERT BUTYL 2 OXAZOLYLMETHYLTHIO) 2 THIAZOLYL]ISONIPECOTAMIDE; PYRIDO[2,3 D]PYRIMIDIN 7 ONE; ROSCOVITINE;

ARTICLE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; DRUG ACTIVITY; DRUG STRUCTURE; ENZYME ACTIVE SITE; ENZYME INHIBITION; GENETIC ALGORITHM; HYDROPHOBICITY; MULTIPLE LINEAR REGRESSION ANALYSIS;

ALGORITHMS; BAYES THEOREM; COMPUTER SIMULATION; CYCLIN-DEPENDENT KINASE 4; CYCLINS; ELECTROSTATICS; HYDROPHOBICITY; LINEAR MODELS; MODELS, CHEMICAL; MODELS, MOLECULAR; NEURAL NETWORKS (COMPUTER); PREDICTIVE VALUE OF TESTS; PROTEIN KINASE INHIBITORS; PYRIMIDINONES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 44449158893     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2008.04.048     Document Type: Article

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