The inhibitory activity of methoxyl flavonoids derived from Inula britannica flowers on SARS-CoV-2 3CLpro

https://doi.org/10.1016/j.ijbiomac.2022.10.008Get rights and content

Abstract

In our ongoing efforts to identify effective natural antiviral agents, four methoxy flavonoids (14) were isolated from the Inula britannica flower extract. Their structures were elucidated using nuclear magnetic resonance. Flavonoids 14 exhibited inhibitory activity against SARS- CoV-2 3CLpro with IC50 values of 41.6 ± 2.5, 35.9 ± 0.9, 32.8 ± 1.2, and 96.6 ± 3.4 μM, respectively. Flavonoids 13 inhibited 3CLpro in a competitive manner. Based on molecular simulations, key amino acids that form hydrogen bond with inhibitor 3 were identified. Finally, we found that inhibitors (13) suppressed HCoV-OC43 coronavirus proliferation at micromole concentrations.

Keywords

Inula britannica
Methoxyl flavonoids
SARS-CoV-2
3CLpro
HCoV-OC43

Data availability

No data was used for the research described in the article.

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1

These authors contributed equally to this work.

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