Exploration of Potent Compounds with Glucokinase Activity for Diabetes Through Molecular Docking Analysis

Herbal medications are used to treat diseases and conditions with fewer adverse effects, ease of availability and low cost. So many bioactive compounds were identified from the plant, Andrographis paniculata . The objective of this study was to determine the molecular interactions of selected compounds with diabetes mellitus (DM) target protein Glucokinase. In this work, the screening of the best molecules as bioactive compounds is accomplished by a molecular docking study with chosen DM target protein. In this study, five possible bioactive compounds such as Andrographolide, 3,14,19-triacetylandrographolide, 14-deoxyandrographolide, Andrograpanin and Neoandrographolide have been successfully identified by binding energy as the most effective ligands for the management of diabetes mellitus.