Virologie und Mykologie
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Molecular Modeling and Interaction Studies of HCV Core Protein

Sobia Idrees, Usman Ali Ashfaq, Mehvish Zahoor and Shafaq Ramzan

HCV is a leading cause of liver disease and can lead to hepatocellular carcinoma and liver damage which in turn can cause death of patients. HCV is closely related to immune response especially inflammation suggesting that the immune response-related genes can serve as molecular targets for chemo-prevention and treatment of C-type HCC. This study was conducted to determine the 3D structures of immune responsive gene (CXCL6) that are up-regulated during Hepatitis C Virus (HCV) Infection and Hepatocellular Carcinoma (HCC) and HCV core protein.Furthermore, docking and interactions analysis of immune responsive gene with HCV core protein was performed to understand pathogenesis of HCV infection. Reliable 3D structures of both proteins were determined using comparative modeling approach. Docking of both proteins revealed functionally important residues i-e. Arg149, Arg39, Arg74 and Gln78 in HCV core protein and Leu44, Ala71, Ser76 and Pro97 in CXCL6. It can be concluded from the study that CXCL6 had potentially interacting residues with HCV core protein that can be helpful in finding clues to understand HCV pathogenesis and develop better therapeutic regimens.