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In silico design of pyrimidinedione-based novel dpp-iv inhibitors for antidiabetic activity

Author: 
Vibhu Jha, Anurag Agrawal, Swati Sahawal, Kumari Neha, Divya Agrawal, Neha Chopra and Sunanda Kr. Mandal
Subject Area: 
Health Sciences
Abstract: 

DPP-4 Inhibitors are the class of oral hypoglycemics that block DPP-4 (Dipeptidyl peptidase-4), used to treat T2DM. The first agent of the class Sitagliptin was approved by the FDA in 2006. Most of the antidiabetic have major side effects like weight gain, hypoglycemia, GI adverse reactions etc. DPP-IV Inhibitors are devoid of such major side effects. Designing pyrimidinedione-based compounds may probably give safe pharmacological profile with significant antidiabetic activity. Compounds are designed rationally and molecular docking studies are performed on DPP-IV subunits by PyRx 0.8 (Autodock vina based scoring function) and compared by Alogliptin (FDA Approved, 2013). These compounds possess significant binding scores on comparision with molecular docking study of Alogliptin. Futher, these compounds are designed on the basis of synthetic outcomes. Now, under synthetic procedures, may probably result in compounds with significant DPP-IV Inhibitory activity. Satisfactory in vitro, in vivo and toxicological activity can lead to the development of drug candidate since this category of compounds have negligible side effects.

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