Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Wang, Maoru, Yu, Bin, Wang, Jisheng, Wang, Yu, Liang, Libo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2022
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
_version_ 1784803426729721856
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
work_keys_str_mv AT wangmaoru exploringtheroleofxingrenoncovid19basedonnetworkpharmacologyandmoleculardocking
AT yubin exploringtheroleofxingrenoncovid19basedonnetworkpharmacologyandmoleculardocking
AT wangjisheng exploringtheroleofxingrenoncovid19basedonnetworkpharmacologyandmoleculardocking
AT wangyu exploringtheroleofxingrenoncovid19basedonnetworkpharmacologyandmoleculardocking
AT lianglibo exploringtheroleofxingrenoncovid19basedonnetworkpharmacologyandmoleculardocking