Volume 20 No 6 (2022)
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Berberine and Canadine: Pre-ADMET analysis and Molecular docking studies as Alpha Glucosidase inhibitors
Rita D. Chakole, Manoj S. Charde
Abstract
Alpha-glucosidase inhibitors have garnered significant utilisation in the therapeutic management of individuals diagnosed with type 2 diabetes. Alpha-glucosidase inhibitors exert their pharmacological effects by impeding the absorption of carbohydrates within the small intestine, thereby leading to a notable reduction in postprandial blood glucose and insulin levels. Therefore in present study, we have selected two natural compounds i.e. Berberine and Canadine to investigate their alpha glucosidase inhibitory potential.During the physicochemical analysis, it was observed that the values of all the molecules fell within the acceptable range. From ADMET analysis it was observed that these compounds possess drug-likeness properties and can be treated as lead nucleus for further development of novel alpha glucosidase inhibitors. From molecular docking it was observed that both the compounds formed more stable complex than native ligand. These both compounds has excellent binding affinity towards alpha glucosidase and can developed further by preparing more semisynthetic derivatives. These compounds can be tested further using in vitro alpha glucosidase activity and the same we are planning to perform in near future.
Keywords
Molecular docking; Berberine; Canadine; ADMET; Alpha glucosidase; T2DM
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