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

Linhui Huang, Wei Yang, Minxue Su
Medicine · 2023 · vol. 102(34) , pp. e34845 · doi:10.1097/md.0000000000034845 · PMID:37653805 · PMC10470684 · W4386274033
article OA: gold CC0 ⤵ 2 in-corpus citations
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Network pharmacology and molecular docking identified 78 active ingredients and 124 targets in Wen Jing decoction that potentially treat endometriosis through multiple signaling pathways.

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Abstract

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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Condition tags

endometriosisdysmenorrheainfertility

MeSH descriptors

Endometriosis Endometriosis Endometriosis Endometriosis Endometriosis Endometriosis Endometriosis Endometriosis Endometriosis Network Pharmacology Network Pharmacology Network Pharmacology Network Pharmacology Network Pharmacology Network Pharmacology Network Pharmacology Network Pharmacology Drugs, Chinese Herbal Drugs, Chinese Herbal Drugs, Chinese Herbal

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