Affordable Access

Access to the full text

Exploring the binding efficacy of ivermectin against the key proteins of SARS-CoV-2 pathogenesis: an in silico approach

Authors
  • Choudhury, Abhigyan1
  • Das, Nabarun C1
  • Patra, Ritwik1
  • Bhattacharya, Manojit2
  • Ghosh, Pratik3
  • Patra, Bidhan C3
  • Mukherjee, Suprabhat1
  • 1 Integrative Biochemistry & Immunology Laboratory, Department of Animal Science, Kazi Nazrul University, Asansol 713340, West Bengal, India
  • 2 Department of Zoology, Fakir Mohan University, Balasore 756020, Odisha, India
  • 3 Department of Zoology, Vidyasagar University, Midnapore 721102, West Bengal, India
Type
Published Article
Journal
Future Virology
Publisher
Future Medicine
Publication Date
Mar 25, 2021
Identifiers
DOI: 10.2217/fvl-2020-0342
PMCID: PMC7996102
Source
PubMed Central
Keywords
Disciplines
  • Research Article
License
Green

Abstract

Aim: COVID-19 is currently the biggest threat to mankind. Recently, ivermectin (a US FDA-approved antiparasitic drug) has been explored as an anti-SARS-CoV-2 agent. Herein, we have studied the possible mechanism of action of ivermectin using in silico approaches. Materials & methods: Interaction of ivermectin against the key proteins involved in SARS-CoV-2 pathogenesis were investigated through molecular docking and molecular dynamic simulation. Results: Ivermectin was found as a blocker of viral replicase, protease and human TMPRSS2, which could be the biophysical basis behind its antiviral efficiency. The antiviral action and ADMET profile of ivermectin was on par with the currently used anticorona drugs such as hydroxychloroquine and remdesivir. Conclusion: Our study enlightens the candidature of ivermectin as an effective drug for treating COVID-19.

Report this publication

Statistics

Seen <100 times