In Silico Molecular Docking Study of Gymnemic Acid Analogues

Diabetes mellitus is characterized by high blood sugar levels, which cause various other disorders like cardiovascular problems, eye irritation, kidney failure, and nervous system problems. There are numerous treatments available in the market, but synthetic medicine has various side effects. Traditionally, Herbal plants are mostly used for diabetes mellitus. Gymnema sylvestre is one of the most effective plants that comes from the Apocynaceae family. It is also called gurmar in Hindi. The present study includes an in-silico study of Gymnemic acid analogues to identify the protein receptor affinity to bind, and also their ADMET and Toxicological properties by using software like Biodiscovery Studio, Avogadro, PyRx, Swiss ADME, ADMET 2.0, and Protox 3.0. In this study, the gymnemic acid analogues I-XVIII were dock with receptor SGLT-2(7vsi) and Glut(4pyp), so the result best binding affinity of SGLT-2 (PDB ID:- 7vsi) with gymnemic acid VIII (-9.3 kcal/mol) and Glut (PDB ID:- 4pyp) with gymnemic acid XVIII (-9.3 kcal/mol). The analogues show violate Lipinski’s rule, only gymnemic acid VII show good GI absorption, and all gymnemic acids, showed mostly no risk of carcinogenicity, respiratory toxicity, H-HT, skin sensitivity, irritation, except gymnemic acid XV, , which has high risk of toxicity; its LD50 is 4 mg/kg. This study shows that gymnemic acid analogues of Gymnema sylvestre are highly effective as antidiabetics.