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OJBTM

Online Journal of Bioinformatics

Volume 14(1):1-8, 2013


In silico analysis of flavopiridol analogues with Cdk2 in cancer therapy

 

Darakhshan Jabin (M Sc), Ambarish Sharan Vidyarthi (PhD), Shankaracharya (PhD) *

 

Department of Biotechnology, Birla Institute of Technology, Mesra, Ranchi, Jharkhand, India

 

ABSTRACT

 

Jabin D, Vidyarthi AS, Shankaracharya S.,  In silico analysis of flavopiridol analogues with Cdk2 for cancer therapy, Online J Bioinform., 14(1):1-8, 2013.  Cyclin-dependent kinase 2 (CDK2) is essential for G1/S phase transitions of the cell cycle. Flavopiridol inhibits cancer through interference with cyclin dependent kinases.  Virtual screening and flexible docking using GLIDE with ADME was used to predict 10 potential flavopiridol analogues. From 500 compounds, ZINC_29557166 showed an interacting ligand with cdk2 having a low GScore of - 8.78 satisfying all the parameters of an ADME properties prediction.

 

Keywords:     Flavopiridol, Cdk2, Molecular Docking, ADME, Toxicity Prediction


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