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

Jang Hoon Kim, Yea In Park, Mok Hur, Woo Tae Park, Youn Ho Moon, Sung Cheol Koo, Her Yun-Chan, Ik Soo Lee, Junsoo Park

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)

Abstract

In our ongoing efforts to identify effective natural antiviral agents, four methoxy flavonoids (1–4) were isolated from the Inula britannica flower extract. Their structures were elucidated using nuclear magnetic resonance. Flavonoids 1–4 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 1–3 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 (1–3) suppressed HCoV-OC43 coronavirus proliferation at micromole concentrations.

Original languageEnglish
Pages (from-to)2098-2104
Number of pages7
JournalInternational Journal of Biological Macromolecules
Volume222
DOIs
Publication statusPublished - 2022 Dec 1

Bibliographical note

Publisher Copyright:
© 2022

All Science Journal Classification (ASJC) codes

  • Structural Biology
  • Biochemistry
  • Molecular Biology

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