世界中医药

目的:采用网络药理学的方法预测三棱-莪术药对治疗子宫内膜异位症（EMT）的主要活性成分、靶点及信号通路，探讨其作用机制。方法:通过中药系统药理学数据库与分析平台（TCMSP）检索三棱-莪术药对的中药化学成分，以口服生物利用度（OB）≥30%、类药性（DL）≥0.18为阈值筛选潜在的活性化合物；通过TCMSP查询活性化合物对应的靶标；运用GeneCards和人类孟德尔遗传数据库（OMIM)预测疾病靶点；利用韦恩图找到活性成分靶点和疾病靶点的交集靶点；使用Cytoscape 3.7.2软件构建疾病-药物-有效成分-靶点蛋白质-蛋白质相互作用（PPI）网络；采用String在线数据库和Cytoscape软件绘制交集靶点PPI网络；最后借助R软件和Bioconductor生物信息软件包进行基因本体（GO）功能富集分析及京都基因和基因组百科全书（KEGG）通路富集分析,并使用Cytoscape软件绘制靶点-信号通路网络图。结果:筛选得到三棱-莪术活性成分8个，对应靶点77个，EMT相关靶点1 600个，交集靶点34个。GO功能富集分析结果显示三棱-莪术药对可影响1 054个生物学过程、22个细胞组分和65个分子功能。KEGG通路富集分析得到91条通路，三棱-莪术药对治疗EMT主要与雌激素信号通路、IL-17信号通路、AGE-RAGE信号通路、甲状腺激素信号通路、P53信号通路等有关。结论:三棱-莪术药对治疗EMs具有多靶点、多途径、多通路的特点。

English Summary:

To predict the main active components,targets,and signaling pathways and decipher the mechanism of Sparganii Rhizoma-Curcumae Rhizoma herb pair in the treatment of endometriosis(EMs) based on network pharmacology.Methods:The chemical components of the herb pair was searched through the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP),and the potential active components were screened with oral bioavailability(OB)≥30% and drug-likeness(DL)≥0.18 as the thresholds.The targets of the active components were obtained from TCMSP and those of EMs from GeneCards and OMIM.The common targets shared by the active components and EMs were identified via Venn diagram.The disease-herb-active component-target network was constructed in Cytoscape 3.7.2.The protein-protein interaction(PPI) network of the common targets was constructed with String and Cytoscape.Finally,with Bioconductor in R studio,the gene ontology(GO) annotation and the Kyoto Encyclopedia of Genes and Genomes(KEGG) pathway enrichment were performed,and the target-signaling pathway network was constructed in Cytoscape.Results:We screened out 8 active components and 77 corresponding targets of the Sparganii Rhizoma-Curcumae Rhizoma herb pair,as well as 1 600 targets associated with EMs.The herb pair and EMs shared 34 common targets.The results of GO annotation showed that the herb pair regulated 1 054 biological processes,22 cell components,and 65 molecular functions.The KEGG pathway enrichment predicted 91 signaling pathways of the herb pair in the treatment of EMs.The results indicated that Sparganii Rhizoma-Curcumae Rhizoma herb pair mainly treated EMs via estrogen,IL-17,AGE-RAGE,thyroid hormone,and P53 signaling pathways.Conclusion:The Sparganii Rhizoma-Curcumae Rhizoma herb pair treats EMs via multiple targets and multiple pathways,which may involve estrogen,IL-17,AGE-RAGE,thyroid hormone,and P53 signaling pathways.

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