Novel indole derivatives as hepatitis C virus NS5B polymerase inhibitors: Pharmacophore modeling and 3D QSAR studies

  • G. Varun Medicinal Chemistry Research Division, Vishnu Institute of Pharmaceutical Education and Research, Narsapur, AP.
  • M. Lokesh Medicinal Chemistry Research Division, Vishnu Institute of Pharmaceutical Education and Research, Narsapur, AP.
  • M. Sandeep Medicinal Chemistry Research Division, Vishnu Institute of Pharmaceutical Education and Research, Narsapur, AP.
  • Sajad Shahbazi Department of Biotechnology, Punjab University, Chandigarh.
  • Deepak Reddy Gade Dept. of Pharmaceutical Chemistry, JNTUA-OTRI, Anantapur, AP, India.
Keywords: Hepatites C Virus, NS5B, Indole, Pharmacophore Modeling, 3D QSAR, PHASE

Abstract

Hepatitis C Virus (HCV) encodes its own RNA dependent RNA polymerase (NS5b) in order to replicate its genome. An efficient pharmacophore was identified, by executing structural analysis of a set of 49 indole-based inhibitors of the HCV NS5B polymerase. Identified pharmacophoric features, two hydrophobic regions, and 4 aromatic rings i.e. HHRRRR.649. Ligand based 3D-QSAR was performed, partial least square regression analysis was employed which gave a regression coefficient R2 of 0.98 and Q2 of 0.88, and Pearson-R of 0.96.

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Published
2014-07-18
How to Cite
Varun, G., M. Lokesh, M. Sandeep, S. Shahbazi, and D. R. Gade. “Novel Indole Derivatives As Hepatitis C Virus NS5B Polymerase Inhibitors: Pharmacophore Modeling and 3D QSAR Studies”. Bangladesh Journal of Pharmacology, Vol. 9, no. 3, July 2014, pp. 290-7, doi:10.3329/bjp.v9i3.18894.
Section
Research Articles