Selection of Active Antiviral Compounds Against COVID-19 Disease Targeting Coronavirus Endoribonuclease Nendou/NSP15 Via Ligandbased Virtual Screening and Molecular Docking

Title:Selection of Active Antiviral Compounds Against COVID-19 Disease Targeting Coronavirus Endoribonuclease Nendou/NSP15 Via Ligandbased Virtual Screening and Molecular Docking

Volume: 18 Issue: 6

Author(s): Gaurav Joshi*Ramarao Poduri*

Affiliation:

• Department of Pharmaceutical Sciences and Natural Products, Central University of Punjab, Bathinda, 15100,India

• Department of Pharmaceutical Sciences and Natural Products, Central University of Punjab, Bathinda, 15100,India

Keywords: SARS-CoV-2, COVID-19, antiviral agents, drug repurposing, Nsp15, virtual screening, molecular modelling.

Abstract:

Background: The rapid spread of SARS-CoV-2 has caused havoc and panic among individuals, which has further worsened due to the unavailability of a proven drug(s) regime.

Objective: The current work involves drug repurposing from the pool of USFDA approved drugs involving in silico virtual screening technique against COVID-19.

Materials and Methods: Methodology involves virtual screening of 8548 FDA approved drugs against target protein endoribonuclease NendoU (Nsp15) (PDB ID: 6VWW).

Result: Virtual screening-based analysis enabled us to identify four drugs, Eprosartan, Inarigivir soproxil, Foretinib, and DB01813 that could plausibly target Nsp15 against COVID-19 disease.

Conclusion: The work offers the scope to corroborate the findings via in vitro and in vivo techniques to identify the potential of selected leads against COVID-19. The outcome may also help in tracing their molecular mechanism(s) in addition to their development at the clinical level in the future.

Cite this article as:

Joshi Gaurav *, Poduri Ramarao *, Selection of Active Antiviral Compounds Against COVID-19 Disease Targeting Coronavirus Endoribonuclease Nendou/NSP15 Via Ligandbased Virtual Screening and Molecular Docking, Letters in Drug Design & Discovery 2021; 18 (6) . https://dx.doi.org/10.2174/1570180817999201211191445