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Exploring the role of Xingren on COVID‐19 based on network pharmacology and molecular docking
Since the outbreak of novel Coronavirus Pneumonia 2019 (COVID‐19), the role of Almonds (Xingren) in the protection and treatment of COVID‐19 is not clear. Network pharmacology and molecular docking were used to explore the potential mechanism and potential key targets of Xingren on COVID‐19. A total...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley and Sons Inc.
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9539046/ https://www.ncbi.nlm.nih.gov/pubmed/35933696 http://dx.doi.org/10.1111/jfbc.14363 |
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author | Wang, Maoru Yu, Bin Wang, Jisheng Wang, Yu Liang, Libo |
author_facet | Wang, Maoru Yu, Bin Wang, Jisheng Wang, Yu Liang, Libo |
author_sort | Wang, Maoru |
collection | PubMed |
description | Since the outbreak of novel Coronavirus Pneumonia 2019 (COVID‐19), the role of Almonds (Xingren) in the protection and treatment of COVID‐19 is not clear. Network pharmacology and molecular docking were used to explore the potential mechanism and potential key targets of Xingren on COVID‐19. A total of nine common targets between them were obtained, and these targets were involved in multiple related processes of GO and KEGG pathway enrichment analysis. Molecular docking showed that licochalcone B has the best binding energy (−9.33 kJ·mol(−1)) to PTGS2. They are maybe the important ingredient and key potential target. Its possible mechanism is to intervene anxiety disorder in the process of disease development, such as regulation of blood pressure, reactive oxygen species metabolic process, leishmaniasis peroxisome, and IL‐17 signaling pathway. PRACTICAL APPLICATIONS: Xingren is a traditional Chinese medicine that has been used and developed in China for many years. It contains a variety of active ingredients and also has the functions of relieving cough, relieving asthma, enhancing human immunity, delaying aging, regulating blood lipids, nourishing brain, and improving intelligence. In this article, the possible mechanisms of action and important targets of Xingren in the prevention and treatment of COVID‐19 were discussed through network pharmacology and molecular docking. We also found that active ingredient licochalcone B and the potential target PTGS2 are worthy of further research and analysis. At the same time, the study also provides a theoretical basis and reference for the prevention and treatment of COVID‐19 and the development of new drugs. |
format | Online Article Text |
id | pubmed-9539046 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | John Wiley and Sons Inc. |
record_format | MEDLINE/PubMed |
spelling | pubmed-95390462022-10-11 Exploring the role of Xingren on COVID‐19 based on network pharmacology and molecular docking Wang, Maoru Yu, Bin Wang, Jisheng Wang, Yu Liang, Libo J Food Biochem Original Articles Since the outbreak of novel Coronavirus Pneumonia 2019 (COVID‐19), the role of Almonds (Xingren) in the protection and treatment of COVID‐19 is not clear. Network pharmacology and molecular docking were used to explore the potential mechanism and potential key targets of Xingren on COVID‐19. A total of nine common targets between them were obtained, and these targets were involved in multiple related processes of GO and KEGG pathway enrichment analysis. Molecular docking showed that licochalcone B has the best binding energy (−9.33 kJ·mol(−1)) to PTGS2. They are maybe the important ingredient and key potential target. Its possible mechanism is to intervene anxiety disorder in the process of disease development, such as regulation of blood pressure, reactive oxygen species metabolic process, leishmaniasis peroxisome, and IL‐17 signaling pathway. PRACTICAL APPLICATIONS: Xingren is a traditional Chinese medicine that has been used and developed in China for many years. It contains a variety of active ingredients and also has the functions of relieving cough, relieving asthma, enhancing human immunity, delaying aging, regulating blood lipids, nourishing brain, and improving intelligence. In this article, the possible mechanisms of action and important targets of Xingren in the prevention and treatment of COVID‐19 were discussed through network pharmacology and molecular docking. We also found that active ingredient licochalcone B and the potential target PTGS2 are worthy of further research and analysis. At the same time, the study also provides a theoretical basis and reference for the prevention and treatment of COVID‐19 and the development of new drugs. John Wiley and Sons Inc. 2022-08-07 /pmc/articles/PMC9539046/ /pubmed/35933696 http://dx.doi.org/10.1111/jfbc.14363 Text en © 2022 The Authors. Journal of Food Biochemistry published by Wiley Periodicals LLC. https://creativecommons.org/licenses/by/4.0/This is an open access article under the terms of the http://creativecommons.org/licenses/by/4.0/ (https://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 Wang, Maoru Yu, Bin Wang, Jisheng Wang, Yu Liang, Libo Exploring the role of Xingren on COVID‐19 based on network pharmacology and molecular docking |
title | Exploring the role of Xingren on COVID‐19 based on network pharmacology and molecular docking |
title_full | Exploring the role of Xingren on COVID‐19 based on network pharmacology and molecular docking |
title_fullStr | Exploring the role of Xingren on COVID‐19 based on network pharmacology and molecular docking |
title_full_unstemmed | Exploring the role of Xingren on COVID‐19 based on network pharmacology and molecular docking |
title_short | Exploring the role of Xingren on COVID‐19 based on network pharmacology and molecular docking |
title_sort | exploring the role of xingren on covid‐19 based on network pharmacology and molecular docking |
topic | Original Articles |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9539046/ https://www.ncbi.nlm.nih.gov/pubmed/35933696 http://dx.doi.org/10.1111/jfbc.14363 |
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