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

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

Journal

Molecules
, E-ISSN: 1420-3049

Output data

Year: 2023, Volume: 28, Number: 1, Pages: 303 Pages count : 1 DOI: 10.3390/molecules28010303

Tags

triterpene amide; SARS-CoV-2; main protease; molecular modeling; FRET; antiviral

Authors

Baev Dmitry S. ¹ , Blokhin Mikhail E. ¹ , Chirkova Varvara Yu. ² , Belenkaya Svetlana V. ³ , Luzina Olga A. ¹ , Yarovaya Olga I. ¹ , Salakhutdinov Nariman F. ¹ , Shcherbakov Dmitry N. ³

Affiliations

1	N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry of Siberian Branch of Russian Academy of Sciences
2	Altai State University
3	State Research Center of Virology and Biotechnology VECTOR

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 SARSCoV-2 main protease at micromolar concentrations.

Baev D.S. , Blokhin M.E. , Chirkova V.Y. , Belenkaya S.V. , Luzina O.A. , Yarovaya O.I. , Salakhutdinov N.F. , Shcherbakov D.N.
Triterpenic Acid Amides as Potential Inhibitors of the SARS-CoV-2 Main Protease
Molecules. 2023. V.28. N1. P.303. DOI: 10.3390/molecules28010303 WOS Scopus РИНЦ

Submitted:	Dec 9, 2022
Accepted:	Dec 28, 2022
Published print:	Dec 30, 2022

Web of science	WOS:000909074900001
Scopus	2-s2.0-85145736389
Elibrary	59284445
OpenAlex	W4313472282