In-silico analysis of gymnemagenin from Gymnema sylvestre (Retz.) R.Br. with targets related to diabetes

• The present study elucidates the possible roles of gymnemagenin as ligand binding with at least 7 of 15 potential protein targets associated with glucose metabolism.
• The ADMET properties have been predicted for gymnemagenin which was shown to be non-carcinogenic, non-toxic and biodegradable making it fit for human use.
• The results of this study not only demonstrate the drug likeliness of gymnemagenin but also provide possible scientific indication of its probable modes of action.
• The results were found comparable with two clinically used anti-diabetic compounds, viz., repaglinide and sitagliptin.
• Our study underscores the importance of gymnemagenin which could be developed as a potent anti-diabetic drug.

Diabetes is a metabolic disorder characterized by higher than normal glucose in the blood. Most oral hypoglycemic drugs available in market produce adverse side effects which have resulted in continued search for new therapeutic agents with little or no side effects. Herbal drugs are considered relatively safer alternatives and Gymnema sylvestre is one of the most well established natural remedy for diabetes and is traded worldwide under several brands. In the present study an attempt has been made to use in silico techniques to understand and predict the drug likeliness of gymnemagenin, one of the key constituents of G. sylvestre against 15 proteins having key role in carbohydrate metabolism. Gymnemagenin was found to dock well with crystallographic structures of 7 of the 15 selected targets and was found even better than the two known clinically used antidiabetic compounds, repaglinide and sitagliptin taken in the study for comparison. Gymnemagenin therefore can be considered further for development into a potent anti-diabetic drug.