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Journal : Chemistry Indonesian Journal of Chemical Research

Molecular Docking Study of Chalcone Derivatives as Potential Inhibitors of SARS-CoV-2 Main Protease Fitriana, Adita Silvia; Royani, Sri
Indonesian Journal of Chemical Research Vol 9 No 3 (2022): Edition for January 2022
Publisher : Jurusan Kimia, Fakultas Sains dan Teknologi, Universitas Pattimura

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30598//ijcr.2022.9-fit

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.