Molecular Docking and Synthesis of Some Substituted Sulphonylurea/Pyrrolidine -Based Derivatives as Hypoglycemic Agents

Ishan I Panchal, Dhrubo Jyoti

Abstract

A series of 1-(4-substitutedbenzoyl)-3-(4-(2-oxo-2-(pyrrolidin-1 yl)ethyl)phenylsulfonyl)urea/gaunidine(5A-5F) and1-(4-(2-(4-methoxyphenylamino)-2-oxoethyl)phenylsulfonyl)-3-(4-nitrobenzoyl)urea (5G-5J) derivatives was design and synthesized as hypoglycemic agents. The structures of all the newly synthesized compounds were characterized by their melting point, TLC, IR spectroscopy, 1H-NMR and 13C-NMR. All these newly synthesized compounds were screened for their in vivo hypoglycemic activity using alloxan induced diabetic rat model. Docking studies were performed using iGEMDOCK program to predict the binding affinity and to understand interaction with various residues. Compounds 5B, 5G, and5I exhibited good hypoglycemic activity and binding affinity comparable to glibenclamide. Good binding affinity and in vivo hypoglycemic activity of 5B, 5G, 5I suggest that it can be further explored as hypoglycemic agents.