Exploring the Polymerase Activity of Chikungunya Viral non structural Protein 4 (nsP4) using Molecular Modeling, e-Pharmacophore and Docking Studies

This study will appear in International Journal of Pharmacy and Life Sciences in June Edition.


Exploring the Polymerase Activity of Chikungunya Viral non structural
Protein 4 (nsP4) using Molecular Modeling, e-Pharmacophore and Docking
Studies


S. Prasanth Kumar, Ravi G. Kapopara, Yogesh T. Jasrai and Himanshu A. Pandya
Department of Bioinformatics, ABC, Gujarat University, Ahmedabad- 380009.

Graphical Abstract

S. Prasanth Kumar, Ravi G. Kapopara, Mehul I. Patni, Himanshu A. Pandya, Yogesh T. Jasrai* and Saumya K. Patel. Exploring the Polymerase Activity of Chikungunya Viral non structural Protein 4 (nsP4) using Molecular Modeling, e-Pharmacophore and Docking Studies. International Journal of Pharmacy and Life Sciences 3(6): pp. 1752-1765.

Chikungunya viral RNA-dependent RNA polymerase (RdRp) activity is conferred by non

structural protein 4 (nsp4), an important protein target towards the development of antiviral

compounds. The present study deals about the development of homology model of nsP4

followed by molecular docking with known RdRp inhibitors experimented in Hepatitis C virus

(HCV), HIV-1, Paramyxovirus, etc. The predicted catalytic site and two allosteric binding sites

were docked with nucleosidic and non-nucleosidic inhibitors. The best top five scoring ligands

were selected based upon the interaction profiles and a common pharmacophore was developed.

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