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The mechanism study of Miao medicine Tongfengting decoction in the treatment of gout based on network pharmacology and molecular docking

This study sought to clarify the mechanism of action of Miao medicine Tongfengting decoction in the treatment of gout through network pharmacology and molecular docking by searching for its key targets and related pathways. METHODS: The active ingredients of Miao medicine Tongfengting Decoction were...

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Autores principales: Peng, Xin, Huang, Cong, Zhang, Nannan, Cao, Yuepeng, Chen, Zhigang, Ma, Wukai, Liu, Zhengqi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Lippincott Williams & Wilkins 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9794283/
https://www.ncbi.nlm.nih.gov/pubmed/36595750
http://dx.doi.org/10.1097/MD.0000000000032300
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author Peng, Xin
Huang, Cong
Zhang, Nannan
Cao, Yuepeng
Chen, Zhigang
Ma, Wukai
Liu, Zhengqi
author_facet Peng, Xin
Huang, Cong
Zhang, Nannan
Cao, Yuepeng
Chen, Zhigang
Ma, Wukai
Liu, Zhengqi
author_sort Peng, Xin
collection PubMed
description This study sought to clarify the mechanism of action of Miao medicine Tongfengting decoction in the treatment of gout through network pharmacology and molecular docking by searching for its key targets and related pathways. METHODS: The active ingredients of Miao medicine Tongfengting Decoction were obtained from the TCMSP data platform, searched the relevant databases for gout-related targets,using String and Cytoscape 3.9 to build a “compound-cross-target-disease” network diagram,performed gene ontology (GO) and Kyoto encyclopedia of genes and genomes (KEGG) enrichment analysis in the DAVID database, and performed the docking analysis using PyMoL 2.3.0 and AutoDock. RESULTS: After screening, 298 main targets of the Miao medicine Tongfengting decoction for gout were identified. The target network is established, and the topology of protein-protein interaction (PPI) network is analyzed. The enrichment analysis of KEGG pathway showed that these targets were related to Pathways in cancer, PI3K Akt signaling pathway, MAPK signaling pathway and other pathways. Molecular docking showed that the target protein had good binding power with the main active components of the compound of Miao medicine Tongfengting Decoction. CONCLUSION: Miao medicine Tongfengting decoction probably regulates immune mechanism using a multi-component, multi-target, and multi-pathway strategy to reduce inflammatory response and exert its therapeutic effect on gout.
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spelling pubmed-97942832022-12-28 The mechanism study of Miao medicine Tongfengting decoction in the treatment of gout based on network pharmacology and molecular docking Peng, Xin Huang, Cong Zhang, Nannan Cao, Yuepeng Chen, Zhigang Ma, Wukai Liu, Zhengqi Medicine (Baltimore) 3800 This study sought to clarify the mechanism of action of Miao medicine Tongfengting decoction in the treatment of gout through network pharmacology and molecular docking by searching for its key targets and related pathways. METHODS: The active ingredients of Miao medicine Tongfengting Decoction were obtained from the TCMSP data platform, searched the relevant databases for gout-related targets,using String and Cytoscape 3.9 to build a “compound-cross-target-disease” network diagram,performed gene ontology (GO) and Kyoto encyclopedia of genes and genomes (KEGG) enrichment analysis in the DAVID database, and performed the docking analysis using PyMoL 2.3.0 and AutoDock. RESULTS: After screening, 298 main targets of the Miao medicine Tongfengting decoction for gout were identified. The target network is established, and the topology of protein-protein interaction (PPI) network is analyzed. The enrichment analysis of KEGG pathway showed that these targets were related to Pathways in cancer, PI3K Akt signaling pathway, MAPK signaling pathway and other pathways. Molecular docking showed that the target protein had good binding power with the main active components of the compound of Miao medicine Tongfengting Decoction. CONCLUSION: Miao medicine Tongfengting decoction probably regulates immune mechanism using a multi-component, multi-target, and multi-pathway strategy to reduce inflammatory response and exert its therapeutic effect on gout. Lippincott Williams & Wilkins 2022-12-23 /pmc/articles/PMC9794283/ /pubmed/36595750 http://dx.doi.org/10.1097/MD.0000000000032300 Text en Copyright © 2022 the Author(s). Published by Wolters Kluwer Health, Inc. https://creativecommons.org/licenses/by/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/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 3800
Peng, Xin
Huang, Cong
Zhang, Nannan
Cao, Yuepeng
Chen, Zhigang
Ma, Wukai
Liu, Zhengqi
The mechanism study of Miao medicine Tongfengting decoction in the treatment of gout based on network pharmacology and molecular docking
title The mechanism study of Miao medicine Tongfengting decoction in the treatment of gout based on network pharmacology and molecular docking
title_full The mechanism study of Miao medicine Tongfengting decoction in the treatment of gout based on network pharmacology and molecular docking
title_fullStr The mechanism study of Miao medicine Tongfengting decoction in the treatment of gout based on network pharmacology and molecular docking
title_full_unstemmed The mechanism study of Miao medicine Tongfengting decoction in the treatment of gout based on network pharmacology and molecular docking
title_short The mechanism study of Miao medicine Tongfengting decoction in the treatment of gout based on network pharmacology and molecular docking
title_sort mechanism study of miao medicine tongfengting decoction in the treatment of gout based on network pharmacology and molecular docking
topic 3800
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9794283/
https://www.ncbi.nlm.nih.gov/pubmed/36595750
http://dx.doi.org/10.1097/MD.0000000000032300
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