(+)-Usnic Acid and Its Derivatives as Inhibitors of a Wide Spectrum of SARS-CoV-2 Viruses

(+)-Usnic Acid and Its Derivatives as Inhibitors of a Wide Spectrum of SARS-CoV-2 Viruses Full article

Journal

Viruses
ISSN: 1999-4915

Output data

Year: 2022, Volume: 14, Number: 10, Article number : 2154, Pages count : 21 DOI: 10.3390/v14102154

Tags

usnic acid; virus SARS-CoV-2; main viral protease 3CLPro; surface glycoprotein S; molecular modeling; antiviral compound

Authors

Filimonov Aleksandr S. ¹ , Yarovaya Olga I. ¹ , Zaykovskaya Anna V. ² , Rudometova Nadezda B. ² , Shcherbakov Dmitriy N. ² , Chirkova Varvara Yu. ³ , Baev Dmitry S. ¹ , Borisevich Sophia S. ⁴ , Luzina Olga A. ¹ , Pyankov Oleg V. ² , Maksyutov Rinat A. ² , Salakhutdinov Nariman F. ¹

Affiliations

1	Department of Medicinal Chemistry, N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry SB RAS, 630090 Novosibirsk, Russia
2	State Research Center of Virology and Biotechnology VECTOR, Rospotrebnadzor, 630559 Yekaterinburg, Russia
3	Department of Physical-Chemistry Biology and Biotechnology, Altay State University, 656049 Barnaul, Russia
4	Laboratory of Chemical Physics, Ufa Institute of Chemistry Ufa Federal Research Center, 450078 Ufa, Russia

Funding (1)

Российский Научный Фонд

22-23-00618

In order to test the antiviral activity, a series of usnic acid derivatives were synthesized, including new, previously undescribed compounds. The activity of the derivatives against three strains of SARS-CoV-2 virus was studied. To understand the mechanism of antiviral action, the inhibitory activity of the main protease of SARS-CoV-2 virus was studied using the developed model as well as the antiviral activity against the pseudoviral system with glycoprotein S of SARS-CoV-2 virus on its surface. It was shown that usnic acid exhibits activity against three strains of SARS-CoV-2 virus: Wuhan, Delta, and Omicron. Compounds 10 and 13 also showed high activity against the three strains. The performed biological studies and molecular modeling allowed us to assume that the derivatives of usnic acid bind in the N-terminal domain of the surface glycoprotein S at the binding site of the hemoglobin decay metabolite.

Filimonov A.S. , Yarovaya O.I. , Zaykovskaya A.V. , Rudometova N.B. , Shcherbakov D.N. , Chirkova V.Y. , Baev D.S. , Borisevich S.S. , Luzina O.A. , Pyankov O.V. , Maksyutov R.A. , Salakhutdinov N.F.
(+)-Usnic Acid and Its Derivatives as Inhibitors of a Wide Spectrum of SARS-CoV-2 Viruses
Viruses. 2022. V.14. N10. 2154 :1-21. DOI: 10.3390/v14102154 WOS РИНЦ

Submitted:	Aug 19, 2022
Accepted:	Sep 22, 2022
Published online:	Sep 29, 2022

Web of science	WOS:000873640300001
Elibrary	57675244
OpenAlex	W4298145290