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Research into the mechanism of intervention of Wenjing decoction in endometriosis based on network pharmacology and molecular docking technology

BACKGROUND: Endometriosis (EMs) is a frequent disease in women and is the principal cause of infertility and dysmenorrhea. Due to its high recurrence rate and serious complications, more research on EMs is needed. We used network pharmacology and molecular docking technology to predict the key activ...

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Autores principales: Huang, Linhui, Yang, Wei, Su, Minxue
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Lippincott Williams & Wilkins 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10470684/
https://www.ncbi.nlm.nih.gov/pubmed/37653805
http://dx.doi.org/10.1097/MD.0000000000034845
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author Huang, Linhui
Yang, Wei
Su, Minxue
author_facet Huang, Linhui
Yang, Wei
Su, Minxue
author_sort Huang, Linhui
collection PubMed
description BACKGROUND: Endometriosis (EMs) is a frequent disease in women and is the principal cause of infertility and dysmenorrhea. Due to its high recurrence rate and serious complications, more research on EMs is needed. We used network pharmacology and molecular docking technology to predict the key active components, targets, and signaling pathways of Wen Jing decoction (WJD) in the treatment of EMs. METHODS: The components and targets of WJD were collected and identified using the Traditional Chinese Medicine Systems Pharmacology Database and BATMAN-TCM. The EMs targets were obtained from GeneCards, OMIM, TTD, Kyoto encyclopedia of genes and genomes (KEGG) and GAD Databases; the Venny diagram was used to analyze the overlap between the targets of WJD and EMs; use Cytoscape 3.8.2 software to build a drug active ingredient–target protein interaction network; after downloading the data from the String online database, Cytoscape 3.8.2 software was used to draw the intersection target protein–protein interaction network diagram. Finally, microbiotic information mapping was used to analyze gene ontology function enrichment and KEGG pathway enrichment. Molecular docking was used to predict the binding affinity of the components of WJD to the targets of EMs. RESULTS: Seventy-eight active ingredients of WJD were screened, corresponding to 108 targets, 2626 EMs-related targets and 124 intersection targets. The results of gene ontology functional enrichment analysis showed that WJD could affect 709 biological processes, 131 molecular functions and 54 cell composition. The enrichment analysis of KEGG pathway yielded 185 pathways. The treatment of EMs by WJD has the characteristics of multiple targets and multiple pathways. Molecular docking with the AutoDock Vina platform found that 5 active ingredients of WJD were successfully docked with 6 common targets. CONCLUSION: Based on network pharmacology and molecular docking, WJD was found to act on EMs through multi-targets and related signaling pathways.
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spelling pubmed-104706842023-09-01 Research into the mechanism of intervention of Wenjing decoction in endometriosis based on network pharmacology and molecular docking technology Huang, Linhui Yang, Wei Su, Minxue Medicine (Baltimore) 5600 BACKGROUND: Endometriosis (EMs) is a frequent disease in women and is the principal cause of infertility and dysmenorrhea. Due to its high recurrence rate and serious complications, more research on EMs is needed. We used network pharmacology and molecular docking technology to predict the key active components, targets, and signaling pathways of Wen Jing decoction (WJD) in the treatment of EMs. METHODS: The components and targets of WJD were collected and identified using the Traditional Chinese Medicine Systems Pharmacology Database and BATMAN-TCM. The EMs targets were obtained from GeneCards, OMIM, TTD, Kyoto encyclopedia of genes and genomes (KEGG) and GAD Databases; the Venny diagram was used to analyze the overlap between the targets of WJD and EMs; use Cytoscape 3.8.2 software to build a drug active ingredient–target protein interaction network; after downloading the data from the String online database, Cytoscape 3.8.2 software was used to draw the intersection target protein–protein interaction network diagram. Finally, microbiotic information mapping was used to analyze gene ontology function enrichment and KEGG pathway enrichment. Molecular docking was used to predict the binding affinity of the components of WJD to the targets of EMs. RESULTS: Seventy-eight active ingredients of WJD were screened, corresponding to 108 targets, 2626 EMs-related targets and 124 intersection targets. The results of gene ontology functional enrichment analysis showed that WJD could affect 709 biological processes, 131 molecular functions and 54 cell composition. The enrichment analysis of KEGG pathway yielded 185 pathways. The treatment of EMs by WJD has the characteristics of multiple targets and multiple pathways. Molecular docking with the AutoDock Vina platform found that 5 active ingredients of WJD were successfully docked with 6 common targets. CONCLUSION: Based on network pharmacology and molecular docking, WJD was found to act on EMs through multi-targets and related signaling pathways. Lippincott Williams & Wilkins 2023-08-25 /pmc/articles/PMC10470684/ /pubmed/37653805 http://dx.doi.org/10.1097/MD.0000000000034845 Text en Copyright © 2023 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 5600
Huang, Linhui
Yang, Wei
Su, Minxue
Research into the mechanism of intervention of Wenjing decoction in endometriosis based on network pharmacology and molecular docking technology
title Research into the mechanism of intervention of Wenjing decoction in endometriosis based on network pharmacology and molecular docking technology
title_full Research into the mechanism of intervention of Wenjing decoction in endometriosis based on network pharmacology and molecular docking technology
title_fullStr Research into the mechanism of intervention of Wenjing decoction in endometriosis based on network pharmacology and molecular docking technology
title_full_unstemmed Research into the mechanism of intervention of Wenjing decoction in endometriosis based on network pharmacology and molecular docking technology
title_short Research into the mechanism of intervention of Wenjing decoction in endometriosis based on network pharmacology and molecular docking technology
title_sort research into the mechanism of intervention of wenjing decoction in endometriosis based on network pharmacology and molecular docking technology
topic 5600
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10470684/
https://www.ncbi.nlm.nih.gov/pubmed/37653805
http://dx.doi.org/10.1097/MD.0000000000034845
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