MOLECULAR DOCKING AND SCREENING OF DRUGS FOR 6LU7 PROTEASE INHIBITOR AS A POTENTIAL TARGET FOR COVID-19

Authors

  • MANOJ GADEWAR Department of Pharmacology, K.R. Mangalam University, Gurugram, Haryana, India
  • BHARAT LAL Department of Pharmaceutics, K. R. Mangalam University, Gurugram, Haryana, India

DOI:

https://doi.org/10.22159/ijap.2022v14i1.43132

Keywords:

COVID-19, RNA polymerase, Molecular docking, Antiviral, Anti-malarial, RNA dependant

Abstract

Objective: The aim of present investigation is docking of various existing antiviral, anti-tubercular and anti-malarial drugs on 6LU7 receptor of SARS-CoV-2 in the treatment of COVID-19.

Methods: In this study the structure of corona virus binding protein and ligands for various drugs were collected from the protein data bank and pub chem. Molecular docking was carried out using Schordinger 9.0 software. In molecular docking study 19 different drugs of various categories like antiviral, anti-malarial and anti-tubercular were investigated for analyzing binding to 6LU7 receptors of COVID-19.

Results: The docking result showed high affinity of zanamivir, montelucast, ramdesvir,  ritonavir,  cobicistat and  favipravir to the 6LU7 receptor of novel corona virus. Thus combination of these drugs may be useful in preventing further infection and can be used as potential target for further in vitro and in vivo studies of SARS-CoV-2.

Conclusion: Treatment of COVID-19 has been challenge due to non-availability of effective drug therapy. In this study we reported drugs for targeting 6LU7 Mpro/ 3Clpro protein which showed prominent effect as potential inhibitors of COVID-19 Mpro.

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Published

03-11-2021

How to Cite

GADEWAR, M., & LAL, B. (2021). MOLECULAR DOCKING AND SCREENING OF DRUGS FOR 6LU7 PROTEASE INHIBITOR AS A POTENTIAL TARGET FOR COVID-19. International Journal of Applied Pharmaceutics, 14(1). https://doi.org/10.22159/ijap.2022v14i1.43132

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Original Article(s)