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

被引:9
|
作者
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 ]
机构
[1] NN Vorozhtsov Novosibirsk Inst Organ Chem, 9 Lavrentiev Ave, Novosibirsk 630090, Russia
[2] Altay State Univ, Dept Phys Chem Biol & Biotechnol, 61 Lenina Ave, Barnaul 656049, Russia
[3] Rospotrebnadzor, State Res Ctr Virol & Biotechnol VECTOR, Koltsov 630559, Russia
来源
MOLECULES | 2023年 / 28卷 / 01期
关键词
triterpene amide; SARS-CoV-2; main protease; molecular modeling; FRET; antiviral; ANTIVIRAL ACTIVITY; CONSTITUENTS; DERIVATIVES;
D O I
10.3390/molecules28010303
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
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.
引用
收藏
页数:14
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