Molecular Modelling and in Vitro Hypoglycemic Examination of Polysubstituted Quinoline Derivatives

Abstract

In the present work in-silico molecular simulations were carried out to find out the binding affinities of synthesized polysubstituted quinolines towards PPARγ protein (2XKW). The results obtained from docking analysis showed that the synthesized polysubstituted quinoline derivatives 1a-g are having stronger binding interactions which was on par to that of standards rosiglitazone and pioglitazone. In addition to this in-vitro hypoglycemic studies were studied through α-amylase and α-glucosidase enzyme inhibition assays. The results showed that compounds 1c and 1d possess good hypoglycemic efficacy with percentage inhibition of 87.94 ± 0.25, 85.90 ± 0.56 towards α-glucosidase and 84.55 ± 1.02, 82.14 ± 0.26 percent inhibition towards α-amylase which was greater than standard rosiglitazone and comparable to standard pioglitazone