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.
