In Silico Modeling Studies of the Constituents of Gymnema Sylvestre R.Br.

Gymnema sylvestre has been extensively evaluated for its in vitro and in vivo activity against diabetes mellitus. The leaves of the shrub Gymnema sylvestre contain a complex of pentacyclic triterpenes known as gymnemic acids that have been reported as potential therapeutic agents in the treatment of diabetes. The present study reveals the relationship between the structure and function of the medicinally important constituents of this plant. To understand the binding mechanisms of these active constituents, molecular modelling studies has been performed with dipeptidyl peptidase-4, protein tyrosine phosphatase 1B, sodium potassium ATPase, aldose reductase and glycogen synthase kinase-3β as target proteins using XP docking program of Glide, version 9.2, Schrödinger suit. These constituents showed favourable interactions with the amino acid residues at the active site, their by substantiating their proven efficacy as antidiabetic agents. The present study also gives an insight to the probable herb-drug interaction and reason for sudden hypoglycemic shocks that may occur on concurrent administration of Gymnema extract and synthetic drug, Glimepiride, for the treatment of diabetes.