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Triterpenic Acid Amides as Potential Inhibitors of the SARS-CoV-2 Main Protease.

ABSTRACT: Although the incidence and mortality of SARS-CoV-2 infection has been declining during the pandemic, the problem related to designing novel antiviral drugs that could effectively resist viruses in the future remains relevant. As part of our continued search for chemical compounds that are capable of exerting an antiviral effect against the SARS-CoV-2 virus, we studied the ability of triterpenic acid amides to inhibit the SARS-CoV-2 main protease. Molecular modeling suggested that the compounds are able to bind to the active site of the main protease via non-covalent interactions. The FRET-based enzyme assay was used to reveal that compounds 1e and 1b can inhibit the SARS-CoV-2 main protease at micromolar concentrations.

SUBMITTER: Baev DS

PROVIDER: S-EPMC9822074 | biostudies-literature | 2022 Dec

REPOSITORIES: biostudies-literature

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Triterpenic Acid Amides as Potential Inhibitors of the SARS-CoV-2 Main Protease.

Baev Dmitry S DS Blokhin Mikhail E ME Chirkova Varvara Yu VY Belenkaya Svetlana V SV Luzina Olga A OA Yarovaya Olga I OI Salakhutdinov Nariman F NF Shcherbakov Dmitry N DN

Molecules (Basel, Switzerland) 20221230 1

Although the incidence and mortality of SARS-CoV-2 infection has been declining during the pandemic, the problem related to designing novel antiviral drugs that could effectively resist viruses in the future remains relevant. As part of our continued search for chemical compounds that are capable of exerting an antiviral effect against the SARS-CoV-2 virus, we studied the ability of triterpenic acid amides to inhibit the SARS-CoV-2 main protease. Molecular modeling suggested that the compounds a ...[more]

PMID: 36615498

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