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Effects of diarylbutane lignans from Schisandra chinensis fruit on SARS-CoV-2 3CL(pro) and PL(pro) and their in vitro anti-inflammatory properties

BACKGROUND: Schisandra chinensis fruit is a well-known traditional Chinese medicine (TCM), whose extract has a potent inhibitory effect on the severe acute respiratory syndrome-coronavirus-2 (SARS‑CoV‑2) 3-chymotrypsin-like protease (3CL(pro)) and papain-like protease (PL(pro)). PURPOSE: This work a...

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Autores principales: Li, Bin, Qiao, Liansheng, Xiao, Qi, Zhang, Jianuo, Liu, Jiushi, Zhang, Bengang, Liu, Haitao
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Published by Elsevier B.V. 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10005971/
https://www.ncbi.nlm.nih.gov/pubmed/36968623
http://dx.doi.org/10.1016/j.phyplu.2023.100432
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author Li, Bin
Qiao, Liansheng
Xiao, Qi
Zhang, Jianuo
Liu, Jiushi
Zhang, Bengang
Liu, Haitao
author_facet Li, Bin
Qiao, Liansheng
Xiao, Qi
Zhang, Jianuo
Liu, Jiushi
Zhang, Bengang
Liu, Haitao
author_sort Li, Bin
collection PubMed
description BACKGROUND: Schisandra chinensis fruit is a well-known traditional Chinese medicine (TCM), whose extract has a potent inhibitory effect on the severe acute respiratory syndrome-coronavirus-2 (SARS‑CoV‑2) 3-chymotrypsin-like protease (3CL(pro)) and papain-like protease (PL(pro)). PURPOSE: This work aims to find the active components from the fruit of S. chinensis against SARS‑CoV‑2 3CL(pro) and PL(pro). MATERIALS AND METHODS: The chemical constituents of the fruit of S. chinensis were retrieved based on the electronic databases, such as Web of Science, PubMed, Medline Plus, and CNKI. Molecular docking was used to screen the active components against SARS‑CoV‑2 3CL(pro) and PL(pro). Potential hit compounds were further evaluated by enzymatic activity assay. Furthermore, the anti-inflammatory activities of the active compounds were further explored using the phorbol-12-myristate-13-acetate (PMA)-induced THP1 cells model. RESULTS: In this work, we retrieved 75 components of S. chinensis fruit, including 62 dibenzocyclooctadiene-type lignans, 3 diarylbutane-type lignans, 2 tetrahydrofuran-type lignans, and 8 nortriterpenoids. Combining molecular docking study and in vitro experiments, we found that pregomisin (63), meso‑dihydroguaiaretic acid (64), and nordihydroguaiaretic acid (65) could potently inhibit 3CL(pro) with IC(50) values of 3.07 ± 0.38, 4.12 ± 0.38, and 6.06 ± 0.62 μM, respectively, and inhibit PL(pro) with IC(50) values of 5.23 ± 0.33, 4.24 ± 0.46, and 16.28 ± 0.54 μM, respectively. Interestingly, compounds 63, 64, and 65 also have potent activities of regulating the inflammatory response in vitro. CONCLUSION: Our results suggest that compounds 63, 64, and 65 may be promising SARS-CoV-2 3CL(pro) and PL(pro) inhibitors and anti-inflammatory.
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spelling pubmed-100059712023-03-13 Effects of diarylbutane lignans from Schisandra chinensis fruit on SARS-CoV-2 3CL(pro) and PL(pro) and their in vitro anti-inflammatory properties Li, Bin Qiao, Liansheng Xiao, Qi Zhang, Jianuo Liu, Jiushi Zhang, Bengang Liu, Haitao Phytomed Plus Article BACKGROUND: Schisandra chinensis fruit is a well-known traditional Chinese medicine (TCM), whose extract has a potent inhibitory effect on the severe acute respiratory syndrome-coronavirus-2 (SARS‑CoV‑2) 3-chymotrypsin-like protease (3CL(pro)) and papain-like protease (PL(pro)). PURPOSE: This work aims to find the active components from the fruit of S. chinensis against SARS‑CoV‑2 3CL(pro) and PL(pro). MATERIALS AND METHODS: The chemical constituents of the fruit of S. chinensis were retrieved based on the electronic databases, such as Web of Science, PubMed, Medline Plus, and CNKI. Molecular docking was used to screen the active components against SARS‑CoV‑2 3CL(pro) and PL(pro). Potential hit compounds were further evaluated by enzymatic activity assay. Furthermore, the anti-inflammatory activities of the active compounds were further explored using the phorbol-12-myristate-13-acetate (PMA)-induced THP1 cells model. RESULTS: In this work, we retrieved 75 components of S. chinensis fruit, including 62 dibenzocyclooctadiene-type lignans, 3 diarylbutane-type lignans, 2 tetrahydrofuran-type lignans, and 8 nortriterpenoids. Combining molecular docking study and in vitro experiments, we found that pregomisin (63), meso‑dihydroguaiaretic acid (64), and nordihydroguaiaretic acid (65) could potently inhibit 3CL(pro) with IC(50) values of 3.07 ± 0.38, 4.12 ± 0.38, and 6.06 ± 0.62 μM, respectively, and inhibit PL(pro) with IC(50) values of 5.23 ± 0.33, 4.24 ± 0.46, and 16.28 ± 0.54 μM, respectively. Interestingly, compounds 63, 64, and 65 also have potent activities of regulating the inflammatory response in vitro. CONCLUSION: Our results suggest that compounds 63, 64, and 65 may be promising SARS-CoV-2 3CL(pro) and PL(pro) inhibitors and anti-inflammatory. Published by Elsevier B.V. 2023-05 2023-03-11 /pmc/articles/PMC10005971/ /pubmed/36968623 http://dx.doi.org/10.1016/j.phyplu.2023.100432 Text en © 2023 Published by Elsevier B.V. Since January 2020 Elsevier has created a COVID-19 resource centre with free information in English and Mandarin on the novel coronavirus COVID-19. The COVID-19 resource centre is hosted on Elsevier Connect, the company's public news and information website. Elsevier hereby grants permission to make all its COVID-19-related research that is available on the COVID-19 resource centre - including this research content - immediately available in PubMed Central and other publicly funded repositories, such as the WHO COVID database with rights for unrestricted research re-use and analyses in any form or by any means with acknowledgement of the original source. These permissions are granted for free by Elsevier for as long as the COVID-19 resource centre remains active.
spellingShingle Article
Li, Bin
Qiao, Liansheng
Xiao, Qi
Zhang, Jianuo
Liu, Jiushi
Zhang, Bengang
Liu, Haitao
Effects of diarylbutane lignans from Schisandra chinensis fruit on SARS-CoV-2 3CL(pro) and PL(pro) and their in vitro anti-inflammatory properties
title Effects of diarylbutane lignans from Schisandra chinensis fruit on SARS-CoV-2 3CL(pro) and PL(pro) and their in vitro anti-inflammatory properties
title_full Effects of diarylbutane lignans from Schisandra chinensis fruit on SARS-CoV-2 3CL(pro) and PL(pro) and their in vitro anti-inflammatory properties
title_fullStr Effects of diarylbutane lignans from Schisandra chinensis fruit on SARS-CoV-2 3CL(pro) and PL(pro) and their in vitro anti-inflammatory properties
title_full_unstemmed Effects of diarylbutane lignans from Schisandra chinensis fruit on SARS-CoV-2 3CL(pro) and PL(pro) and their in vitro anti-inflammatory properties
title_short Effects of diarylbutane lignans from Schisandra chinensis fruit on SARS-CoV-2 3CL(pro) and PL(pro) and their in vitro anti-inflammatory properties
title_sort effects of diarylbutane lignans from schisandra chinensis fruit on sars-cov-2 3cl(pro) and pl(pro) and their in vitro anti-inflammatory properties
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10005971/
https://www.ncbi.nlm.nih.gov/pubmed/36968623
http://dx.doi.org/10.1016/j.phyplu.2023.100432
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