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

• DOI: 10.4149/av_2017_02_11
• Publication Date: 2017-04-13T08:41:49Z
• Authors: S. IBRAHIM; M. J. ASAD; R. T. MAHMOOD; F. H. WATTOO; S. AKHTER; D. SHAHWAR
• Keywords: NS5A; Docking (animal)

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