In Silico Study of Histone Deacetylase Inhibitor as Anticancer Agents

Abstract

The clinical selective histone deacetylase inhibitor vorinostat is most commonly used for the treatment of lymphoma and solid tumor and has been preventing lives worldwide. Vorinostat is used in both treatment and prevention of lymphoma and other tumors. Based on these for current study some vorinostat derivatives with thiadiazole moiety containing derivatives have been designed for in silico study. For present work, the already selected study was against histone human using PDB 4LXZ. Designed molecule showed docking interaction with active site amino acid by hydrogen bond as well as vanderwaal interaction. The information obtained from this study like, total energy, and interaction with amino acid suggested necessary binding interaction used to optimize lead molecule. These finding can be utilized for development of new anticancer agents with reduced side effect and minimal toxic effects.

Keywords: Vorinostat derivatives, HDAC inhibitor, anticancer agents

Cite this Article

Parin S. Sidat, Malleshappa N. Noolvi, Vishal G. Beldar, Azmin M. Mogal. In Silico Study of Histone Deacetylase Inhibitor as Anticancer Agents. Research & Reviews: A Journal of Drug Design & Discovery. 2019; 6(2): 6–23p