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 OJVRTM

Online Journal of Veterinary Research  

(Including Medical and Laboratory Research)

Established 1994

ISSN 1328-925X

 

Volume 28 (1): 43-49, 2024.


Flavopiridol virtual inhibitor for cell division control protein analogs.

 

Darakhshan Jabin, Ambarish Sharan, Vidyarthi Shankaracharya.

 

Department of Biotechnology, Birla Institute of Technology, Mesra, Ranchi, Jharkhand - 835 215, India

 

ABSTRACT

 

Jabin D, Shara A, Shankaracharya V., Flavopiridol virtual inhibitor of cell division control protein analogs. Onl J Vet Res., 28 (1):43-49, 2024. Cell division control protein 2 (Cdc2) a catalytic subunit of M-phase promoting factor (MPF) is essential for G1/S and G2/M phase transitions of eukaryotic cell cycle. We report an inhibitor of Cdc2 by virtual screening, flexible docking GLIDE and ADME prediction of 10 prioritized analogues based on GScore. Flavopiridol (N-methylpiperidinyl, chlorophenyl flavones) inhibit cell cycle progression in either G1 or G2 and work as potent cyclin-dependent kinase (CDK) inhibitor. Results suggested that of 100 compounds investigated ZINC_18825325 was most suitable with a GScore of -9.63 with ADME. Results of toxicity prediction are provided

 

Keywords: Flavopiridol, Cdc2, Molecular Docking, ADME, Toxicity Prediction.


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