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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...
Autores principales: | , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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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. |
format | Online Article Text |
id | pubmed-9822074 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
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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