title: In-silico analysis of gymnemagenin from Gymnema sylvestre (Retz.) R.Br. with targets related to diabetes.
abstract: 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.
authors.affiliation: Regional Medical Research Centre (ICMR), Belagavi 590010, Karnataka, India; KLE University, Belagavi 590010, Karnataka, India.
authors.forename: Poonam K
authors.initials: PK
authors.lastname: Rathore
authors.affiliation: Regional Medical Research Centre (ICMR), Belagavi 590010, Karnataka, India.
authors.forename: V
authors.initials: V
authors.lastname: Arathy
authors.affiliation: Regional Medical Research Centre (ICMR), Belagavi 590010, Karnataka, India.
authors.forename: Vijaylaxmi S
authors.initials: VS
authors.lastname: Attimarad
authors.affiliation: Regional Medical Research Centre (ICMR), Belagavi 590010, Karnataka, India.
authors.forename: Pramod
authors.initials: P
authors.lastname: Kumar
authors.affiliation: Regional Medical Research Centre (ICMR), Belagavi 590010, Karnataka, India. Electronic address: drsubarnaroy@gmail.com.
authors.forename: Subarna
authors.initials: S
authors.lastname: Roy
mesh_terms: D000470:Alkaloids / Q000737:chemistry / Q000627:therapeutic use*; D050260:Carbohydrate Metabolism / Q000187:drug effects*; D003198:Computer Simulation; D003920:Diabetes Mellitus / Q000188:drug therapy / Q000378:metabolism; D031104:Gymnema sylvestre / Q000737:chemistry*; D006801:Humans; D008954:Models, Biological
chemical_list: D000470:Alkaloids; C517988:gymnemagenin
keywords: ADMET; Autodock; Docking; Ligand