COMPUTATIONAL SCREENING OF FLAVONOIDS FOR HCV INHIBITION

Pooja Karkera, Sanceep Telkar, Usha BM, Kumara Swamy HM, Ravikumar Y S

Abstract: HCV (Hepatitis C virus) infection leads to complex liver diseases by affecting the hepatocytes. HCV Non-structural protein NS3 protease play major role in the processing of polyprotein and replication of HCV. NS5b is also a key enzyme in the replication of the virus. In our study we first selected 5 plants based on their significance in inhibiting liver disorders, viral infections and their use in treatment of viral infection. A library of 10 flavonoids were constructed and docked against NS3 protease and 5 sites of NS5B which includes active site and allosteric sites; palm site 1, palm site 2, thumb site 1, thumb site 2. quercetin 3-O- rutinoside showed the best interactions with both NS3 and 5 sites of NS5B. However, in-vitro studies have to be performed in order to confirm the inhibitory effect of these flavonoids.

Keywords: HCV, Antiviral, Flavonoids, Docking study, Protease and RdRp

DOI: https://doi.org/10.15623/ijret.2016.0529007