Abstract
INHIBITION OF ????-GLUCOSIDASE BY NOVEL SERIES OF PIPERIDINYL COUMARIN DERIVATIVES FOR TYPE 2 DIABETES MELLITUS: IN SILICO DESIGN AND MOLECULAR DOCKING STUDIES
Anjali V. P., Babu G. and Dr. Shiny George*
ABSTRACT
In the present study we report the inhibitory effect of piperidinyl coumarin derivatives on the activity of ????-glucosidase through insilico studies. Inhibiting the action of such enzyme can significantly reduce post-prandial glucose levels in Type 2 diabetes. Molecular docking was carried out on ????-glucosidase using AutoDock Vina in order to understand the molecular interaction of ligands with the active site of the enzyme. The derivatives (2A1-4C7) were analyzed for in silico ADMET properties and toxicity to establish oral drug like behavior and showed satisfactory results. The interactions of analogues showed that they could use as antidiabetic agent with suitable drug-like properties as compared to other active drugs for diabetes and therefore could be recommended for further studies, hopefully could discover a new specific leads in antidiabetic category as ?-glucosidase inhibitor.
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