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.

1. 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
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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