Insilico Docking Study of the Compounds Identified from the leaves of Orthosiphon stamineus for Hepatoprotective activity

Abstract

To evaluate the Insilico docking study of the compounds identified from the leaves of Orthosiphon stamieus for Hepatoprotective activity. In the present study, in-silico docking analysis was carried out for the compounds present in leaves of Orthosiphon stamineus in comparison with standard Silymarin against Pregnene X receptor and NF-?b Receptor. Experiments were performed using the program GLIDE (Grid-based Ligand Docking with Energetic) module version 5.9, Schrodinger, LLC, New York, NY, 2013 (Schrodinger Inc.). Compounds 1,2 and 4 have shown significant Pregnene X receptor inhibitory activity. Of the 3 compounds, compounds 1 and 4 showed maximum Pregnene X receptor inhibition than compound 2 and standard drug Silymarin. Compounds 1,4 and 7 have shown significant NF-?b Receptor inhibitory activity. Of the 3 compounds , compounds 1 and 4 showed maximum NF-?b Receptor inhibition than the compound 2 and the standard drug Silymarin. The study showed that the leaves of Orthosiphon stamineus is potential for the hepatoprotective activity by inhibiting Pregnene X receptor( PXR) and Nuclear Factor kappalight- chain-enhancer of activated b cells ( NF-?b Receptor)