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Natural Product Research
Formerly Natural Product Letters
Volume 38, 2024 - Issue 5
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Short Communications

Antiviral activity of curcumin and its analogs selected by an artificial intelligence-supported activity prediction system in SARS-CoV-2-infected VeroE6 cells

ORCID Icon, ORCID Icon, , , , , , , ORCID Icon & ORCID Icon show all
Pages 867-872 | Received 28 Nov 2022, Accepted 17 Mar 2023, Published online: 28 Mar 2023
 

Abstract

Curcumin has been reported to exert its anti-SARS-CoV-2 activity by inhibiting the binding of spike receptor-binding domain (RBD) to angiotensin-converting enzyme-2 (ACE2). To identify more potent compounds, we evaluated the antiviral activities of curcumin and its analogs in SARS-CoV-2-infected cells. An artificial intelligence-supported activity prediction system was used to select the compounds, and 116 of the 334 curcumin analogs were proposed to have spike RBD-ACE2 binding inhibitory activity. These compounds were narrowed down to eight compounds for confirmatory studies. Six out of the eight compounds showed antiviral activity with EC50 values of less than 30 µM and binding inhibitory activity with IC20 values of less than 30 µM. Structure-activity relationship analyses revealed that the double bonds in the carbon chain connecting the two phenolic groups were essential for both activities. X-ray co-crystallography studies are needed to clarify the true binding pose and design more potent derivatives.

Graphical Abstract

Acknowledgments

We thank the National Institute of Infectious Diseases and Mr. Hidetsugu Kawakita for providing the viral strain and technical assistance related to computational chemistry, respectively. We would also like to thank Mr. Toshio Hashimoto for his advice on statistical analyses.

Disclosure statement

MY declares no conflict of interest. KT and TS are employees of Lequio Pharma Co., Ltd., and TT, ZY, KI, TM, AM, MH, and HK are employees or employers of Interprotein Corporation.

Correction Statement

This article has been corrected with minor changes. These changes do not impact the academic content of the article.

Additional information

Funding

No external funding was provided for the present study.

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