3D-QSAR CoMFA and CoMSIA study on benzodipyrazoles as cyclin dependent kinase 2 inhibitors

Medicinal Chemistry

Volumn 4, Issue 4, 2008, Pages 313-321

  Dessalew, Nigus ^a   Singh, Sanjeev Kumar ^b  

^a ADDIS ABABA UNIVERSITY   (Ethiopia)

^b MADURAI KAMARAJ UNIVERSITY   (India)

Author keywords

3D QSAR; Benzodipyrazoles; CDK2; CoMFA; CoMSIA

Indexed keywords

6 O CYCLOHEXYLMETHYLGUANINE; ALSTERPAULLONE; ANILINOQUINAZOLINE; BENZODIPYRAZOLE DERIVATIVE; CYCLIN DEPENDENT KINASE 2; CYCLIN DEPENDENT KINASE 2 INHIBITOR; ENZYME INHIBITOR; HYMENIALDISINE; INDIRUBIN 3' MONOXIME; QUINAZOLINE DERIVATIVE; ROSCOVITINE;

ARTICLE; CORRELATION COEFFICIENT; DRUG DESIGN; DRUG POTENCY; DRUG STRUCTURE; DRUG SYNTHESIS; DRUG TARGETING; HYDROPHILICITY; IC 50; IN VITRO STUDY; MOLECULAR INTERACTION; MOLECULAR MODEL; PARTIAL LEAST SQUARES REGRESSION; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

CYCLIN-DEPENDENT KINASE 2; ELECTROSTATICS; HYDROGEN BONDING; HYDROPHOBICITY; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEIN KINASE INHIBITORS; PYRAZOLES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 50049121591     PISSN: 15734064     EISSN: None     Source Type: Journal    
DOI: 10.2174/157340608784872244     Document Type: Article

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