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Identification and evaluation of antiviral activity of novel compounds targeting SARS-CoV-2 virus by enzymatic and antiviral assays, and computational analysis
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Identification and evaluation of antiviral activity of novel compounds targeting SARS-CoV-2 virus by enzymatic and antiviral assays, and computational analysis
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Journal Article
Identification and evaluation of antiviral activity of novel compounds targeting SARS-CoV-2 virus by enzymatic and antiviral assays, and computational analysis
2024
Overview
The viral genome of the SARS-CoV-2 coronavirus, the aetiologic agent of COVID-19, encodes structural, non-structural, and accessory proteins. Most of these components undergo rapid genetic variations, though to a lesser extent the essential viral proteases. Consequently, the protease and/or deubiquitinase activities of the cysteine proteases M
and PL
became attractive targets for the design of antiviral agents. Here, we develop and evaluate new bis(benzylidene)cyclohexanones (BBC) and identify potential antiviral compounds. Three compounds were found to be effective in reducing the SARS-CoV-2 load, with EC
values in the low micromolar concentration range. However, these compounds also exhibited inhibitory activity IC
against PL
at approximately 10-fold higher micromolar concentrations. Although originally developed as PL
inhibitors, the comparison between IC
and EC
of BBC indicates that the mechanism of their
antiviral activity is probably not directly related to inhibition of viral cysteine proteases. In conclusion, our study has identified new potential noncytotoxic antiviral compounds suitable for
testing and further improvement.
Publisher
Taylor & Francis Ltd,Taylor & Francis,Taylor & Francis Group
Subject
/ Antiviral Agents - chemistry
/ Antiviral Agents - pharmacology
/ bis(benzylidene)cyclohexanone inhibitors
/ COVID-19
/ Cysteine
/ Cysteine Endopeptidases - metabolism
/ Humans
/ Molecular Docking Simulation
/ Protease Inhibitors - chemistry
/ Protease Inhibitors - pharmacology
/ SARS-CoV-2 viral cysteine proteases Mpro and PLpro
