In silico Docking Studies on ATP-Sensitive K+Channel, Insulin Receptor and Phosphorylase kinase Activity by Isolated Active Principles of Stereospermum tetragonum DC

Background: Stereospermum tetragonum is a medicinal plant that grows throughout tropical parts of Indian sub continent, particularly in sandy soils of river beds in Northern India. S. tetragonum is a potential source of metabolites such as coumarines, glycosides, tannins and terpenoids traditionally used in the treatment of Diabetes mellitus. The main objective of the study is to evaluate the interaction of active principles isolated from S. tetragonum with ATP-sensitive K+ channel, Insulin receptor and phosphorylase kinase by in silico docking studies. Methods: Activation by in silico docking studies of ATP-sensitive K+ channel, Insulin receptor, Phosphorylase kinase with1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)1-(tetrahydro-6-(hydroxymethyl)-3,4,5-trimethoxy-2H-pyran-2-yloxy) cyclopenta[c]pyran-4-carboxylicacid and 5,8-dihydro-7-isopentyl-2,3,5,8-tetramethoxynaphthalene-1,4,6-triol isolated from the active fraction by solvent fractionation and chromatographic techniques and characterized with spectral data of water extract of S. tetragonum. Results: The isolated compounds showed better interaction than metformin glide score -2.563 through an extensive in silico docking approach with ATP-sensitive K+ channel. The glide score is -6.981 Kcal/mol for compound 1 and -9.425 Kcal/mol for compound 2. In Insulin receptor the glide score for standard metformin is -3.359 and for compound 1 is -7.882 and compound 2 is -4.62. in Phosphorylase kinase the glide score of standard metformin is -4.864 and the glide score for compound 1 is -6.981 and compound 2 is -5.253 with the receptors. Conclusion: The work establishes the isolated compounds from the fraction of S. tetragonum as a potential source for Diabetic treatment thus enabling a possibility of this plant as new alternative to existing diabetic approaches.