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Network-based pharmacology and molecular docking exploring the “Bupleuri Radix-Scutellariae Radix” mechanism of action in the viral hepatitis B treatment
Viral hepatitis B is caused by the hepatitis B virus, which is characterized by liver lesions. Bupleuri Radix and Scutellariae Radix are the main traditional medicine pairs with remarkable efficacy in hepatitis B. However, their molecular mechanisms are incompletely understood. The main active compo...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Lippincott Williams & Wilkins
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9726313/ https://www.ncbi.nlm.nih.gov/pubmed/36482557 http://dx.doi.org/10.1097/MD.0000000000031835 |
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author | Long, Piao Xia, Yu Yang, Yuying Cao, Jianzhong |
author_facet | Long, Piao Xia, Yu Yang, Yuying Cao, Jianzhong |
author_sort | Long, Piao |
collection | PubMed |
description | Viral hepatitis B is caused by the hepatitis B virus, which is characterized by liver lesions. Bupleuri Radix and Scutellariae Radix are the main traditional medicine pairs with remarkable efficacy in hepatitis B. However, their molecular mechanisms are incompletely understood. The main active components of Bupleuri Radix and Scutellariae Radix, as well as therapeutic targets for the treatment of hepatitis B, were identified through network pharmacology techniques. We identified viral hepatitis B targets using the GeneCards, online mendelian inheritance in man, and therapeutic target databases. We discovered the active components of Bupleuri Radix and Scutellariae Radix as well as therapeutic targets using the encyclopedia of traditional Chinese medicine, HERB, traditional Chinese medicine systems pharmacology database, and a bioinformatics analysis tool for molecular mechanism of traditional Chinese medicine databases. VENNY obtained the intersections. Cytoscape and STRING were used to create the “active ingredient-potential target” network and protein interaction network. The DAVID database was used to enrich GO and KEGG pathways. The results were confirmed using the molecular docking method. There were 1827 viral hepatitis B targets, and 37 active ingredients for Bupleuri and Scutellariae Radix, with the main components being quercetin, wogonin, baicalein, and kaempferol. Tumor necrosis factor (TNF), mitogen-activated protein kinase 3 (MAPK3), interleukin-6 (IL-6), vascular endothelial growth factor A, cysteinyl aspartate specific proteinase 3, transcription factor AP-1 (JUN), RAC-alpha serine/threonine-protein kinase, and cellular tumor antigen p53 are among the 78 common targets of Bupleuri Radix and Scutellariae Radix intervention in viral hepatitis B. KEGG enrichment resulted in 107 pathways, including cancer, hepatitis B, and TNF signaling pathways. According to the molecular docking technique, quercetin, wogonin, baicalein, and kaempferol had strong binding activities with TNF, MAPK3, and IL-6. In this study, we initially identified various molecular targets and multiple pathways involved in hepatitis B treatment with Bupleuri Radix and Scutellariae Radix. |
format | Online Article Text |
id | pubmed-9726313 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | Lippincott Williams & Wilkins |
record_format | MEDLINE/PubMed |
spelling | pubmed-97263132022-12-09 Network-based pharmacology and molecular docking exploring the “Bupleuri Radix-Scutellariae Radix” mechanism of action in the viral hepatitis B treatment Long, Piao Xia, Yu Yang, Yuying Cao, Jianzhong Medicine (Baltimore) 4900 Viral hepatitis B is caused by the hepatitis B virus, which is characterized by liver lesions. Bupleuri Radix and Scutellariae Radix are the main traditional medicine pairs with remarkable efficacy in hepatitis B. However, their molecular mechanisms are incompletely understood. The main active components of Bupleuri Radix and Scutellariae Radix, as well as therapeutic targets for the treatment of hepatitis B, were identified through network pharmacology techniques. We identified viral hepatitis B targets using the GeneCards, online mendelian inheritance in man, and therapeutic target databases. We discovered the active components of Bupleuri Radix and Scutellariae Radix as well as therapeutic targets using the encyclopedia of traditional Chinese medicine, HERB, traditional Chinese medicine systems pharmacology database, and a bioinformatics analysis tool for molecular mechanism of traditional Chinese medicine databases. VENNY obtained the intersections. Cytoscape and STRING were used to create the “active ingredient-potential target” network and protein interaction network. The DAVID database was used to enrich GO and KEGG pathways. The results were confirmed using the molecular docking method. There were 1827 viral hepatitis B targets, and 37 active ingredients for Bupleuri and Scutellariae Radix, with the main components being quercetin, wogonin, baicalein, and kaempferol. Tumor necrosis factor (TNF), mitogen-activated protein kinase 3 (MAPK3), interleukin-6 (IL-6), vascular endothelial growth factor A, cysteinyl aspartate specific proteinase 3, transcription factor AP-1 (JUN), RAC-alpha serine/threonine-protein kinase, and cellular tumor antigen p53 are among the 78 common targets of Bupleuri Radix and Scutellariae Radix intervention in viral hepatitis B. KEGG enrichment resulted in 107 pathways, including cancer, hepatitis B, and TNF signaling pathways. According to the molecular docking technique, quercetin, wogonin, baicalein, and kaempferol had strong binding activities with TNF, MAPK3, and IL-6. In this study, we initially identified various molecular targets and multiple pathways involved in hepatitis B treatment with Bupleuri Radix and Scutellariae Radix. Lippincott Williams & Wilkins 2022-12-02 /pmc/articles/PMC9726313/ /pubmed/36482557 http://dx.doi.org/10.1097/MD.0000000000031835 Text en Copyright © 2022 the Author(s). Published by Wolters Kluwer Health, Inc. https://creativecommons.org/licenses/by-nc/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution-Non Commercial License 4.0 (CCBY-NC) (https://creativecommons.org/licenses/by-nc/4.0/) , where it is permissible to download, share, remix, transform, and buildup the work provided it is properly cited. The work cannot be used commercially without permission from the journal. |
spellingShingle | 4900 Long, Piao Xia, Yu Yang, Yuying Cao, Jianzhong Network-based pharmacology and molecular docking exploring the “Bupleuri Radix-Scutellariae Radix” mechanism of action in the viral hepatitis B treatment |
title | Network-based pharmacology and molecular docking exploring the “Bupleuri Radix-Scutellariae Radix” mechanism of action in the viral hepatitis B treatment |
title_full | Network-based pharmacology and molecular docking exploring the “Bupleuri Radix-Scutellariae Radix” mechanism of action in the viral hepatitis B treatment |
title_fullStr | Network-based pharmacology and molecular docking exploring the “Bupleuri Radix-Scutellariae Radix” mechanism of action in the viral hepatitis B treatment |
title_full_unstemmed | Network-based pharmacology and molecular docking exploring the “Bupleuri Radix-Scutellariae Radix” mechanism of action in the viral hepatitis B treatment |
title_short | Network-based pharmacology and molecular docking exploring the “Bupleuri Radix-Scutellariae Radix” mechanism of action in the viral hepatitis B treatment |
title_sort | network-based pharmacology and molecular docking exploring the “bupleuri radix-scutellariae radix” mechanism of action in the viral hepatitis b treatment |
topic | 4900 |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9726313/ https://www.ncbi.nlm.nih.gov/pubmed/36482557 http://dx.doi.org/10.1097/MD.0000000000031835 |
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