Department of Gynecology, Liuzhou Traditional Chinese Medical Hospital, Liuzhou, Guangxi Zhuang Autonomous Region, China.
Preventive Treatment of Disease Center, Liuzhou Traditional Chinese Medical Hospital, Liuzhou, Guangxi Zhuang Autonomous Region, China.
Medicine (Baltimore). 2023 Aug 25;102(34):e34845. doi: 10.1097/MD.0000000000034845.
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.
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.
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.
Based on network pharmacology and molecular docking, WJD was found to act on EMs through multi-targets and related signaling pathways.
子宫内膜异位症（EMs）是一种常见的妇科疾病，是导致不孕和痛经的主要原因。由于其高复发率和严重的并发症，需要对 EMs 进行更多的研究。我们使用网络药理学和分子对接技术来预测文婧汤（WJD）治疗 EMs 的关键活性成分、靶点和信号通路。
使用中药系统药理学数据库和 BATMAN-TCM 收集和鉴定 WJD 的成分和靶点。从 GeneCards、OMIM、TTD、京都基因与基因组百科全书（KEGG）和 GAD 数据库中获得 EMs 靶点；使用 Venny 图分析 WJD 靶点与 EMs 靶点的重叠；使用 Cytoscape 3.8.2 软件构建药物活性成分-靶蛋白相互作用网络；从 String 在线数据库下载数据后，使用 Cytoscape 3.8.2 软件绘制交集靶蛋白-蛋白相互作用网络图。最后，进行微生物信息映射，分析基因本体功能富集和 KEGG 通路富集。使用分子对接预测 WJD 成分与 EMs 靶点的结合亲和力。
筛选出 WJD 的 78 种活性成分，对应 108 个靶点、2626 个 EMs 相关靶点和 124 个交集靶点。基因本体功能富集分析结果表明，WJD 可以影响 709 个生物学过程、131 个分子功能和 54 个细胞组成。KEGG 通路富集分析得到 185 条通路。WJD 治疗 EMs 具有多靶点、多通路的特点。使用 AutoDock Vina 平台进行分子对接，发现 WJD 的 5 种活性成分成功与 6 个常见靶点对接。
基于网络药理学和分子对接，发现 WJD 通过多靶点和相关信号通路作用于 EMs。
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