Molecular Docking Study of Chalcone Derivatives as Potential Inhibitors of SARS-CoV-2 Main Protease

  • Adita Silvia Fitriana Undergraduate Pharmacy Study Program, Faculty of Health, Harapan Bangsa University, Jl. Raden Patah 100, Purwokerto, Indonesia
  • Sri Royani Undergraduate Pharmacy Study Program, Faculty of Health, Harapan Bangsa University, Jl. Raden Patah 100, Purwokerto, Indonesia
DOI: https://doi.org/10.30598//ijcr.2022.9-fit
Keywords: COVID-19, SARS-CoV-2, SARS-CoV, MERS-CoV, 3CLpro, chalcone

Abstract

SARS-CoV-2 main protease is a potential target for the development of AntiCOVID-19. Several chalcones have inhibitory activity against 3CLpro SARS-CoV and 3CLpro MERS-CoV. This study aims to predict the potential of chalcones in inhibiting 3CLpro SARS-CoV-2, which plays a role in the viral replication process. In silico research carried the prediction through molecular docking toward proteins with PDB ID 6LU7 and 6Y2F. Compound K27 has a docking score more negative than lopinavir. This result indicates that compound K27 is predicted to inhibit the SARS-CoV-2 replication.

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Published
2022-01-29
How to Cite
(1)
Fitriana, A.; Royani, S. Molecular Docking Study of Chalcone Derivatives As Potential Inhibitors of SARS-CoV-2 Main Protease. Indo. J. Chem. Res. 2022, 9, 150-162.
Issue
Vol 9 No 3 (2022): Edition for January 2022
Section
Research articles

Copyright (c) 2022 Adita Silvia Fitriana, Sri Royani

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