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Nov 1, 2015

A Study on in-silico Analysis of Phytochemicals targeting the proteins of Hepatitis B and C Virus

Abstract

Compounds from three medicinal plants effective against hepatitis B and C were selected based on literature review for docking studies. The target receptor proteins of hepatitis B and C were retrieved from PDB and the ligand compounds were retrieved from pubchem NCBI. iGEM dock software tool is used for docking analysis to screen potent inhibitors of target proteins. Out of 89 compounds, 65 compounds were chosen based on ADMET properties, Lipinski’s rule of five and docked for drug efficacy. The compounds from G.glabra showed good docking scores for both Hepatitis B and C. This study will be useful in future for designing novel drugs for the treatment of liver diseases.

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