Discovery of novel CDK1 inhibitors by combining pharmacophore modeling, QSAR analysis and in silico screening followed by in vitro bioassay

European Journal of Medicinal Chemistry

Volumn 45, Issue 9, 2010, Pages 4316-4330

  Al Sha'Er, Mahmoud A ^a   Taha, Mutasem O ^a  

^a UNIVERSITY OF JORDAN   (Jordan)

Author keywords

Cancer; CDK1; Genetic algorithm; In silico screening; MLR; Pharmacophore modeling; QSAR

Indexed keywords

CYCLIN DEPENDENT KINASE 1; CYCLIN DEPENDENT KINASE INHIBITOR 1; FORAMSULFURAN; ISOXSUPRINE; UNCLASSIFIED DRUG;

ARTICLE; BIOASSAY; COMPUTER MODEL; CONTROLLED STUDY; DRUG IDENTIFICATION; DRUG RECEPTOR BINDING; IC 50; IN VITRO STUDY; PHARMACOPHORE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RECEIVER OPERATING CHARACTERISTIC;

CDC2 PROTEIN KINASE; COMPUTATIONAL BIOLOGY; DATABASES, FACTUAL; DRUG DISCOVERY; HUMANS; MODELS, MOLECULAR; PROTEIN CONFORMATION; PROTEIN KINASE INHIBITORS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; ROC CURVE; THERMODYNAMICS;

EID: 77955557891     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2010.06.034     Document Type: Article

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