+441518081136Application of computer aided drug design strategies for optimization of anticancer activity of phenazinamine derivatives
4th International Congress on Drug Discovery, Designing and Development & International Conference and Exhibition on Biochemistry, Molecular Biology: R&D
November 02-03, 2017 Chicago, USA
Gajanan Sonwane and Mayura Kale
Government College of Pharmacy, India
Posters & Accepted Abstracts : J Pharmacol Ther Res
Abstract:
We have efficient group based quantitative structure– activity relationships (G-QSAR). Exploring the relationship between the structures of a new promising family of 2- phenazinamine derivatives and their anticancer activities. We have residential evocative model, to aid in further optimization and expansion of newer anticancer agents containing pharmacophore. G-QSAR was performed on VLife molecular design suite (MDS) 4.2 version software. The extrapolative authority of the G-QSAR was checked through the cross-validation method and by separation some compounds as fraction of external test set. Synthesis of 5 novel derivatives 2- phenazinamine derivative by using result of GQSAR and screening of in vitro anticancer activity on K562 cell line was done in Tata Memorial Cancer Research Center Mumbai, India, showing improve anticancer activity. Phenazinamine and the analogues have better binding interactions with Oxidoreductase (PDB: 1YYD.) The binding energies of the protein-ligand interactions also confirm that the ligands are fit into the active pockets of receptor tightly. Docking perform in Autodock 4.2 version software
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