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Anti–coronavirus disease 2019 (COVID‐19) targets and mechanisms of puerarin

The present study aimed to uncover the pharmacological function and underlying mechanism of puerarin as a potential treatment for COVID‐19, using an in silico methodology, including network pharmacology and molecular docking. The pivotal targets of puerarin to treat COVID‐19 were identified and incl...

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Autores principales: Qin, Xingyue, Huang, Chen, Wu, Ka, Li, Yu, Liang, Xiao, Su, Min, Li, Rong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7753316/
https://www.ncbi.nlm.nih.gov/pubmed/33241658
http://dx.doi.org/10.1111/jcmm.16117
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author Qin, Xingyue
Huang, Chen
Wu, Ka
Li, Yu
Liang, Xiao
Su, Min
Li, Rong
author_facet Qin, Xingyue
Huang, Chen
Wu, Ka
Li, Yu
Liang, Xiao
Su, Min
Li, Rong
author_sort Qin, Xingyue
collection PubMed
description The present study aimed to uncover the pharmacological function and underlying mechanism of puerarin as a potential treatment for COVID‐19, using an in silico methodology, including network pharmacology and molecular docking. The pivotal targets of puerarin to treat COVID‐19 were identified and included the epidermal growth factor receptor (EGFR), tumour necrosis factor (TNF), tumour protein p53 (TP53), caspase 3 (CASP3), RELA proto‐oncogene (RELA), Fos proto‐oncogene (FOS), caspase 8 (CASP8), prostaglandin‐endoperoxide synthase 2 (PTGS2), interleukin 2 (IL2), protein kinase CB (PRKCB), B cell lymphoma/leukaemia gene‐2 (BCL2), protein kinase CA (PRKCA), nitric oxide synthase 3 (NOS3) and peroxisome proliferator–activated receptor gamma (PPARG). Functionally, the anti–COVID‐19 action of puerarin was associated with the suppression of oxidative stress and inflammatory cascades, and cell apoptosis. The signalling pathways of puerarin to treat COVID‐19 included modulation of the pathways of apoptosis, IL‐17 signalling, mitogen‐activated protein kinase (MAPK) signalling and TNF signalling. Molecular docking data illustrated the binding capacity of puerarin with COVID‐19 and the effective anti–COVID‐19 activity of puerarin. Taken together, our current network pharmacology–based findings revealed the pharmacological role of puerarin in the treatment of COVID‐19. Furthermore, the bioinformatic findings elucidated that some of these pivotal targets might serve as potential molecular markers for detecting COVID‐19.
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spelling pubmed-77533162020-12-22 Anti–coronavirus disease 2019 (COVID‐19) targets and mechanisms of puerarin Qin, Xingyue Huang, Chen Wu, Ka Li, Yu Liang, Xiao Su, Min Li, Rong J Cell Mol Med Original Articles The present study aimed to uncover the pharmacological function and underlying mechanism of puerarin as a potential treatment for COVID‐19, using an in silico methodology, including network pharmacology and molecular docking. The pivotal targets of puerarin to treat COVID‐19 were identified and included the epidermal growth factor receptor (EGFR), tumour necrosis factor (TNF), tumour protein p53 (TP53), caspase 3 (CASP3), RELA proto‐oncogene (RELA), Fos proto‐oncogene (FOS), caspase 8 (CASP8), prostaglandin‐endoperoxide synthase 2 (PTGS2), interleukin 2 (IL2), protein kinase CB (PRKCB), B cell lymphoma/leukaemia gene‐2 (BCL2), protein kinase CA (PRKCA), nitric oxide synthase 3 (NOS3) and peroxisome proliferator–activated receptor gamma (PPARG). Functionally, the anti–COVID‐19 action of puerarin was associated with the suppression of oxidative stress and inflammatory cascades, and cell apoptosis. The signalling pathways of puerarin to treat COVID‐19 included modulation of the pathways of apoptosis, IL‐17 signalling, mitogen‐activated protein kinase (MAPK) signalling and TNF signalling. Molecular docking data illustrated the binding capacity of puerarin with COVID‐19 and the effective anti–COVID‐19 activity of puerarin. Taken together, our current network pharmacology–based findings revealed the pharmacological role of puerarin in the treatment of COVID‐19. Furthermore, the bioinformatic findings elucidated that some of these pivotal targets might serve as potential molecular markers for detecting COVID‐19. John Wiley and Sons Inc. 2020-11-26 2021-01 /pmc/articles/PMC7753316/ /pubmed/33241658 http://dx.doi.org/10.1111/jcmm.16117 Text en © 2020 The Authors. Basic & Clinical Pharmacology & Toxicology published by John Wiley & Sons Ltd on behalf of Nordic Association for the Publication of BCPT (former Nordic Pharmacological Society) This is an open access article under the terms of the http://creativecommons.org/licenses/by/4.0/ License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
spellingShingle Original Articles
Qin, Xingyue
Huang, Chen
Wu, Ka
Li, Yu
Liang, Xiao
Su, Min
Li, Rong
Anti–coronavirus disease 2019 (COVID‐19) targets and mechanisms of puerarin
title Anti–coronavirus disease 2019 (COVID‐19) targets and mechanisms of puerarin
title_full Anti–coronavirus disease 2019 (COVID‐19) targets and mechanisms of puerarin
title_fullStr Anti–coronavirus disease 2019 (COVID‐19) targets and mechanisms of puerarin
title_full_unstemmed Anti–coronavirus disease 2019 (COVID‐19) targets and mechanisms of puerarin
title_short Anti–coronavirus disease 2019 (COVID‐19) targets and mechanisms of puerarin
title_sort anti–coronavirus disease 2019 (covid‐19) targets and mechanisms of puerarin
topic Original Articles
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7753316/
https://www.ncbi.nlm.nih.gov/pubmed/33241658
http://dx.doi.org/10.1111/jcmm.16117
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