In silico evaluation of naturally isolated triterpene glycosides (TG) from Gymnema sylvestre towards diabetic treatment

Diabetes is a metabolic disorder which is characterised by high levels of blood glucose. Most of the oral drugs available today for the treatment of diabetes are associated with various side-effects. Herbal medicines are considered relatively safer alternatives and Gymnema sylvestre (GS) is one such known traditional medicinal plant widely used for the treatment of diabetes. In our previous work, we isolated active triterpene glycosides (TG) from Gymnema sylvestre (GS) and screened for yeast α-glucosidase inhibitory activity in vitro. The present study aims to use in silico techniques to understand and predict the inhibitory role of the isolated triterpene glycosides (TG); Gymnemic acid I, IV, VII and gymnemagenin against disaccharidase enzymes. enzyme kinetic analysis using Lineweaver-Burk plot indicated that TG competitively inhibited yeast α-glucosidase at IC(50) concentration with K(i) 0.0028 μM. TG also exhibited significant inhibitory activity against mammalian sucrase and maltase respectively, compared to control. PRACTICAL APPLICATIONS: The molecular docking simulation reveals that TG is capable of docking well with crystallographic structures of the selected enzyme targets. Inhibition of α-glucosidases could delay the absorption of glucose in the blood during post-meal digestion. Thus the current study highlights the dietary intervention of TG towards the selected enzyme targets, thus making TG a potential nutraceutical candidate towards management of blood glucose.