Modeling novel Anti-Viral peptides (AVPs) with in-silico docking simulations against corona virus

Aditi Sharma; Kumud Pant; Akshara Pande; Somya Sinha; Bhasker Pant

doi:10.1016/j.matpr.2021.02.377

Modeling novel Anti-Viral peptides (AVPs) with in-silico docking simulations against corona virus

Mater Today Proc. 2021:46:11169-11176. doi: 10.1016/j.matpr.2021.02.377. Epub 2021 Feb 27.

Authors

Aditi Sharma¹, Kumud Pant², Akshara Pande³, Somya Sinha², Bhasker Pant³

Affiliations

¹ Deparment of Life Sciences, Graphic Era Deemed to be University, Dehradun, Uttarakhand, India.
² Department of Biotechnology, Graphic Era Deemed to be University, Dehradun, Uttarakhand, India.
³ Department of Computer Sciences, Graphic Era Hill University, Dehradun, Uttarakhand, India.

Abstract

The havoc created by Corona virus has been dealt with using various integrative approaches adopted by laboratories through-out the world. Use of anti-viral peptides (AVPs) although new but has shown tremendous potential against many pathogens. Previously AVPs have been designed against spike protein of corona virus which is the major entry mediating molecule. Using various in-silico strategies, in this research work AVPs have been modeled against lesser studied viral proteins namely ORF7a protein, Envelope protein (E), Nucleoprotein (N), and Non-Structural protein (Nsp1 and Nsp2). The predicted AVPs have been docked against various host as well as viral proteins. The interaction of small AVPs seems capable of interfering with binding between viral protein and its host counterpart. Therefore, these AVPs can act as a deterrent against novel corona virus, which requires further validation through laboratory techniques.

Keywords: Anti-Viral peptides; Corona virus; Docking; Modeling; Simulation.

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