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

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...

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Autores principales: Baev, Dmitry S., Blokhin, Mikhail E., Chirkova, Varvara Yu., Belenkaya, Svetlana V., Luzina, Olga A., Yarovaya, Olga I., Salakhutdinov, Nariman F., Shcherbakov, Dmitry N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9822074/
https://www.ncbi.nlm.nih.gov/pubmed/36615498
http://dx.doi.org/10.3390/molecules28010303
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author Baev, Dmitry S.
Blokhin, Mikhail E.
Chirkova, Varvara Yu.
Belenkaya, Svetlana V.
Luzina, Olga A.
Yarovaya, Olga I.
Salakhutdinov, Nariman F.
Shcherbakov, Dmitry N.
author_facet Baev, Dmitry S.
Blokhin, Mikhail E.
Chirkova, Varvara Yu.
Belenkaya, Svetlana V.
Luzina, Olga A.
Yarovaya, Olga I.
Salakhutdinov, Nariman F.
Shcherbakov, Dmitry N.
author_sort Baev, Dmitry S.
collection PubMed
description 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.
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spelling pubmed-98220742023-01-07 Triterpenic Acid Amides as Potential Inhibitors of the SARS-CoV-2 Main Protease Baev, Dmitry S. Blokhin, Mikhail E. Chirkova, Varvara Yu. Belenkaya, Svetlana V. Luzina, Olga A. Yarovaya, Olga I. Salakhutdinov, Nariman F. Shcherbakov, Dmitry N. Molecules Article 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. MDPI 2022-12-30 /pmc/articles/PMC9822074/ /pubmed/36615498 http://dx.doi.org/10.3390/molecules28010303 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Baev, Dmitry S.
Blokhin, Mikhail E.
Chirkova, Varvara Yu.
Belenkaya, Svetlana V.
Luzina, Olga A.
Yarovaya, Olga I.
Salakhutdinov, Nariman F.
Shcherbakov, Dmitry N.
Triterpenic Acid Amides as Potential Inhibitors of the SARS-CoV-2 Main Protease
title Triterpenic Acid Amides as Potential Inhibitors of the SARS-CoV-2 Main Protease
title_full Triterpenic Acid Amides as Potential Inhibitors of the SARS-CoV-2 Main Protease
title_fullStr Triterpenic Acid Amides as Potential Inhibitors of the SARS-CoV-2 Main Protease
title_full_unstemmed Triterpenic Acid Amides as Potential Inhibitors of the SARS-CoV-2 Main Protease
title_short Triterpenic Acid Amides as Potential Inhibitors of the SARS-CoV-2 Main Protease
title_sort triterpenic acid amides as potential inhibitors of the sars-cov-2 main protease
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9822074/
https://www.ncbi.nlm.nih.gov/pubmed/36615498
http://dx.doi.org/10.3390/molecules28010303
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