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Molecular docking studies of the chemical constituents of hippo-08 with cyp2e1 and cyp3a4

Author: 
Pakutharivu, T. and Suriyavathana, M.
Subject Area: 
Life Sciences
Abstract: 

In the present study, Molecular docking was done in order to find out whether the chemical compounds of Hippo-08 an ayurvedic formulation, were docked into the active sites of cytochrome p-450 2E1 and cytochrome p-450 3A4 using Accelrys Discovery studio2.1. These two enzymes were increased several folds after ethanol consumption, and these are the major source of free radicals or reactive oxygen species (ROS) causing oxidative stress in the liver. Based on the Dock score the compounds could be ranked for their activity against the protein. Highest Dock score means it has good interaction (inhibition) towards the selected target protein. Seven different chemical compounds present in Hippo-08 have good Dock score against CYP2E1 and five different chemical compounds present in Hippo-08 have good Dock score against CYP3A4. These lead compounds may possess the effectiveness against Alcoholic Fatty Liver Disorder.

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