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Exploration of the Mechanism of Tripterygium Wilfordii in the Treatment of Myocardial Fibrosis Based on Network Pharmacology and Molecular Docking

Background: A network pharmacology study on the biological action of Tripterygium wilfordii on myocardial fibrosis (MF). METHODS: The effective components and potential targets of tripterygium wilfordii were screened from the TCMSP database to develop a combination target network. A protein-protein...

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Autores principales: Ming, Yang, Jiachen, Liu, Tao, Guo, Zhihui, Wang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Bentham Science Publishers 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10226182/
https://www.ncbi.nlm.nih.gov/pubmed/36306461
http://dx.doi.org/10.2174/1573409919666221028120329
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author Ming, Yang
Jiachen, Liu
Tao, Guo
Zhihui, Wang
author_facet Ming, Yang
Jiachen, Liu
Tao, Guo
Zhihui, Wang
author_sort Ming, Yang
collection PubMed
description Background: A network pharmacology study on the biological action of Tripterygium wilfordii on myocardial fibrosis (MF). METHODS: The effective components and potential targets of tripterygium wilfordii were screened from the TCMSP database to develop a combination target network. A protein-protein interaction network was constructed by analyzing the interaction between tripterygium wilfordii and MF; then, the Gene Ontology (GO) classification and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis was performed. Furthermore, molecular docking was utilized to verify the network analysis results. RESULTS: It was predicted that MF has 29 components contributing to its effectiveness and 87 potential targets. It is predicted that Tripterygium wilfordii has 29 active components and 87 potential targets for the treatment of MF. The principal active components of tripterygium wilfordii include kaempferol, β-sitosterol, triptolide, and Nobiletin. Signaling pathways: AGE-RAGE, PI3K-Akt, and MAPK may be involved in the mechanism of its action.7 Seven key targets (TNF, STAT3, AKT1, TP53, VEGFA, CASP3, STAT1) are possibly involved in treating MF by tripterygium wilfordii. CONCLUSION: This study shows the complex network relationship between multiple components, targets, and pathways of Tripterygium wilfordii in treating MF.
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spelling pubmed-102261822023-05-30 Exploration of the Mechanism of Tripterygium Wilfordii in the Treatment of Myocardial Fibrosis Based on Network Pharmacology and Molecular Docking Ming, Yang Jiachen, Liu Tao, Guo Zhihui, Wang Curr Comput Aided Drug Des Chemistry, Combinatorial Chemistry and High Throughput Screening, Medicinal Chemistry, Interdisciplinary Applications Computer Science Background: A network pharmacology study on the biological action of Tripterygium wilfordii on myocardial fibrosis (MF). METHODS: The effective components and potential targets of tripterygium wilfordii were screened from the TCMSP database to develop a combination target network. A protein-protein interaction network was constructed by analyzing the interaction between tripterygium wilfordii and MF; then, the Gene Ontology (GO) classification and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis was performed. Furthermore, molecular docking was utilized to verify the network analysis results. RESULTS: It was predicted that MF has 29 components contributing to its effectiveness and 87 potential targets. It is predicted that Tripterygium wilfordii has 29 active components and 87 potential targets for the treatment of MF. The principal active components of tripterygium wilfordii include kaempferol, β-sitosterol, triptolide, and Nobiletin. Signaling pathways: AGE-RAGE, PI3K-Akt, and MAPK may be involved in the mechanism of its action.7 Seven key targets (TNF, STAT3, AKT1, TP53, VEGFA, CASP3, STAT1) are possibly involved in treating MF by tripterygium wilfordii. CONCLUSION: This study shows the complex network relationship between multiple components, targets, and pathways of Tripterygium wilfordii in treating MF. Bentham Science Publishers 2023-02-21 2023-02-21 /pmc/articles/PMC10226182/ /pubmed/36306461 http://dx.doi.org/10.2174/1573409919666221028120329 Text en © 2023 Bentham Science Publishers https://creativecommons.org/licenses/by-nc/4.0/ This is an open access article licensed under the terms of the Creative Commons Attribution-Non-Commercial 4.0 International Public License (CC BY-NC 4.0) (https://creativecommons.org/licenses/by-nc/4.0/), which permits unrestricted, non-commercial use, distribution and reproduction in any medium, provided the work is properly cited.
spellingShingle Chemistry, Combinatorial Chemistry and High Throughput Screening, Medicinal Chemistry, Interdisciplinary Applications Computer Science
Ming, Yang
Jiachen, Liu
Tao, Guo
Zhihui, Wang
Exploration of the Mechanism of Tripterygium Wilfordii in the Treatment of Myocardial Fibrosis Based on Network Pharmacology and Molecular Docking
title Exploration of the Mechanism of Tripterygium Wilfordii in the Treatment of Myocardial Fibrosis Based on Network Pharmacology and Molecular Docking
title_full Exploration of the Mechanism of Tripterygium Wilfordii in the Treatment of Myocardial Fibrosis Based on Network Pharmacology and Molecular Docking
title_fullStr Exploration of the Mechanism of Tripterygium Wilfordii in the Treatment of Myocardial Fibrosis Based on Network Pharmacology and Molecular Docking
title_full_unstemmed Exploration of the Mechanism of Tripterygium Wilfordii in the Treatment of Myocardial Fibrosis Based on Network Pharmacology and Molecular Docking
title_short Exploration of the Mechanism of Tripterygium Wilfordii in the Treatment of Myocardial Fibrosis Based on Network Pharmacology and Molecular Docking
title_sort exploration of the mechanism of tripterygium wilfordii in the treatment of myocardial fibrosis based on network pharmacology and molecular docking
topic Chemistry, Combinatorial Chemistry and High Throughput Screening, Medicinal Chemistry, Interdisciplinary Applications Computer Science
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10226182/
https://www.ncbi.nlm.nih.gov/pubmed/36306461
http://dx.doi.org/10.2174/1573409919666221028120329
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