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

doi:10.1016/j.ijbiomac.2022.10.008

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

Division of Bioscience and Biotechnology

Research output: Contribution to journal › Article › peer-review

1 Citation (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 language	English
Pages (from-to)	2098-2104
Number of pages	7
Journal	International Journal of Biological Macromolecules
Volume	222
DOIs	https://doi.org/10.1016/j.ijbiomac.2022.10.008
Publication status	Published - 2022 Dec 1

Bibliographical note

Funding Information:
This work was supported by the cooperative Research Program ( PJ01708101 ) of Rural Development Administration , Republic of Korea.

Publisher Copyright:
© 2022

All Science Journal Classification (ASJC) codes

Structural Biology
Biochemistry
Molecular Biology

Access to Document

10.1016/j.ijbiomac.2022.10.008

Cite this

@article{0d631d67df8f4d5aa2e72426352ec6d4,

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

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.",

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

note = "Funding Information: This work was supported by the cooperative Research Program ( PJ01708101 ) of Rural Development Administration , Republic of Korea. Publisher Copyright: {\textcopyright} 2022",

year = "2022",

month = dec,

day = "1",

doi = "10.1016/j.ijbiomac.2022.10.008",

language = "English",

volume = "222",

pages = "2098--2104",

journal = "International Journal of Biological Macromolecules",

issn = "0141-8130",

publisher = "Elsevier",

}

TY - JOUR

T1 - The inhibitory activity of methoxyl flavonoids derived from Inula britannica flowers on SARS-CoV-2 3CLpro

AU - Kim, Jang Hoon

AU - Park, Yea In

AU - Hur, Mok

AU - Park, Woo Tae

AU - Moon, Youn Ho

AU - Koo, Sung Cheol

AU - Yun-Chan, Her

AU - Lee, Ik Soo

AU - Park, Junsoo

PY - 2022/12/1

Y1 - 2022/12/1

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=85139729092&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85139729092&partnerID=8YFLogxK

U2 - 10.1016/j.ijbiomac.2022.10.008

DO - 10.1016/j.ijbiomac.2022.10.008

M3 - Article

C2 - 36208809

AN - SCOPUS:85139729092

SN - 0141-8130

VL - 222

SP - 2098

EP - 2104

JO - International Journal of Biological Macromolecules

JF - International Journal of Biological Macromolecules

ER -

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

Abstract

Bibliographical note

All Science Journal Classification (ASJC) codes

Access to Document

Other files and links

Fingerprint

Cite this