Insilico Docking Study of the Compounds Identified from the leaves of Orthosiphon stamineus for Hepatoprotective activity
Year: 2018
Type: article
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-κb Receptor. Experiments were performed using the program GLIDE (Grid-based Ligand Docking with Energetic) module version 5.9, Schrödinger, 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-κb Receptor inhibitory activity. Of the 3 compounds, compounds 1 and 4 showed maximum NF-κb 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-κb Receptor)
Authors: C. Maheswari, Abdul Mohsen Alrohimi, Amany Tawfik, Vanathi Meenashi, Zafer Saad
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: hybrid
OpenAlex ID: W2807747263