Home CONTACT Acta Virologica 2017 Acta Virologica Vol.61, No.2, p.204-211, 2017

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Founded: 1957
ISSN 0001-723X
E-ISSN 1336-2305

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Acta Virologica Vol.61, No.2, p.204-211, 2017

Title: Retinoid BMS411 (4-{[(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl) carbonyl] amino} benzoic acid), a potential inhibitor of NS5A protein of hepatitis C virus, a candidate for combined therapy of hepatitis C infection
Author: S. IBRAHIM, M. J. ASAD, R. T. MAHMOOD, F. H. WATTOO, S. AKHTER, D. SHAHWAR

Abstract: Hepatitis C infection is a serious health issue worldwide caused by hepatitis C virus (HCV). There is an urgent need of search for new direct acting antiviral drugs due to the rapid development of drug resistance. The HCV NS5A protein is involved in creating resistance against antiviral therapy and there are also many reports that vitamin A deficiency is associated with non-responsiveness to antiviral treatment in HCV infected patients. So the present in silico study was aimed to find the relation between vitamin A deficiency and the NS5A protein’s function in antiviral resistance. Structure of NS5A protein was predicted by using I-Tasser (Interactive Tasser). Previous data on conservative domains and dimer formation were confirmed by using a series of current computational methods. The structure was employed for molecular docking analysis to investigate the interaction of ligand BMS411 (4-[(5,5-dimethyl-8-phenyl-6H-naphthalene-2-carbonyl)amino]benzoic acid), a vitamin A related compound with NS5A protein. Docking analysis showed that retinoid BMS411 can bind to HCV NS5A protein and may act as inhibitor of this protein. The functionally interacting amino acid residues surrounding the ligand molecule were identified and were shown to be involved in the formation of binding pocket. The present study suggests that retinoids may play an important role in the improvement of the outcomes of antiviral therapy against HCV through interaction with NS5A and inhibition of this protein. It is of great importance to check and verify if other retinoids could act as NS5A inhibitors.

Keywords: hepatitis C virus; NS5A; docking; BMS411; retinoid; interferon therapy
Published online: 19-May-2017
Year: 2017, Volume: 61, Issue: 2 Page From: 204, Page To: 211
doi:10.4149/av_2017_02_11


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