©2021-2032 All Rights Reserved. Online Journal of Bioinformatics. You may not store these pages in any form except for your own personal use. All other usage or distribution is illegal under international copyright treaties. Permission to use any of these pages in any other way besides the before mentioned must be gained in writing from the publisher. This article is exclusively copyrighted in its entirety to email@example.com publications. This article may be copied once but may not be, reproduced or re-transmitted without the express permission of the editors. Linking: To link to this page or any pages linking to this page you must link directly to this page only here rather than put up your own page.
Online Journal of Bioinformatics©
Volume 22 (2): 39-44, 2021.
In silico ADME and toxicity of flavopiridol CDC2 analogue inhibitor.
Darakhshan Jabin, Ambarish Sharan Vidyarthi, Shankaracharya S.
Department of Biotechnology, Birla Institute of Technology, Mesra, Ranchi, Jharkhand, India
Jabin D, Vidyarthi AS, Shankaracharya S., In silico ADME and toxicity of Flavopiridol CDC2 analogue inhibitor, Onl J Bioinform., 22 (2): 39-44, 2021. 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 the eukaryotic cell cycle. We describe In silico inhibitor of CDC2 by virtual screening, flexible docking GLIDE and ADME prediction of 10 prioritized analogues based on GScore. 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.
FULL-TEXT (SUBSCRIBE OR PURCHASE TITLE)