In Silico Designing of Triazolothiadiazine as Anticancer Agents

Abstract

Cancer is irregular growth of cells and formation of tumor. There are approximately 9.6 million death reported globally. It is caused by physical or genetic factor. There are various targets for the inhibition of growth of cancerous cells. Inhibition of colchicines binding site of tubulin is promising target in field of cancer management. In this study, we designed 25 novel thiazole and triazolothiadiazine derivatives as colchicine binding site inhibitors and docked in 1SA0 pdb file. In docking study PM-10, PM-6 showed similar hydrogen bond interaction as CA-4 and WX-132 showed. PM-17, PM-18, PM-25 show highest energy docking score and showed better ADMET profile. The ADMET prediction and docking study of novel designed molecules revealed that PM-17, PM-18, PM-25, PM-6, PM-10 may inhibit Colchicines binding site of Tubulin with good potential.

Keywords: Cancer, tubulin destabilizing agent, triazolothiadiazine, thiazole

Cite this Article

Monika Kakadiya, Nidhi Joshi, Malleshappa Noolvi, Uttam A. More. In Silico Designing of Triazolothiadiazine as Anticancer Agents. Research & Reviews: A Journal of Drug Design & Discovery. 2019; 6(1): 10–20p.