目的 通过构建升麻Cimicifugae Rhizoma化学成分-靶点-代谢信号通路网络，探讨其治疗乳腺癌的作用机制。方法 利用中药系统药理学数据库与分析平台（TCMSP）和PharmMapper获取升麻化学成分与作用靶点，将其与乳腺癌疾病靶点取交集得到升麻治疗乳腺癌的作用靶点，进一步利用靶点-成分反向筛选得到治疗乳腺癌的升麻潜在活性成分；通过GeneMANIA数据库获取间接靶标和“蛋白-靶点”互作网络，并通过蛋白-蛋白相互作用筛选关键靶标；采用Cytoscape构建“成分-靶点”网络图，使用分子对接将潜在活性成分和关键靶标配对，以证实前期靶标筛选和反向药效团匹配的可靠性；通过DAVID网站对作用靶点进行基因本体论（GO）分析和京都基因与基因组百科全书（KEGG）分析，利用R语言和在线绘图网站（omishare tools）将结果可视化。结果 获得升麻潜在活性成分共68个，与乳腺癌相关疾病靶点48个，关键靶点为ESR1、SRC和HRAS。GO功能富集分析得到生物过程（BP）条目484条，细胞组成（CC）条目7条，分子功能（MF）条目75条。KEGG通路富集筛选获得到21条信号通路。分子对接结果显示关键靶标与升麻潜在活性成分匹配性较好。结论 升麻主要通过作用于ESR1、SRC、HRAS等靶点，调节癌症通路、蛋白多糖通路和雌激素信号通路等起到治疗乳腺癌的作用。

Objective To establish a chemical constituents-disease target-metabolic signaling pathway network of Cimicifugae Rhizoma for understanding its mechanism on anti-breast cancer. Methods TCMSP database and PharmMapper were used to obtain the chemical components and action targets of Cimicifugae Rhizoma. The therapeutic targets of anti-breast cancer were obtained by intersecting these targets above with those of breast cancer disease. Then, the reverse screening was executed for the potential active components of Cimicifugae Rhizoma. Indirect targets and protein-targets interaction networks were acquired through the GeneMANIA database, and key targets were screened through protein-protein interaction. Cytoscape was used to construct the "medicinal materia-ingredient-target" network diagram, and molecular docking was used to pair up potential active components with key targets, which confirmed the credibility of early target screening and reverse pharmacophore matching methods. Targets were imported into DAVID database for GO function enrichment analysis and KEGG pathway analysis, the results were visualized using R language and Omishare Tools. Results Tatolly 68 potential active ingredients of Cimicifugae Rhizoma and 48 breast cancerrelated disease targets were obtained, the key targets were ESR1, SRC, and HRAS. A total of 75 GO items were obtained by GO functional enrichment analysis, including 484 biological processes (BP), and seven cell component (CC) items. KEGG enrichment analysis yielded 21 pathways. The result of molecular docking suggested that key targets paired well with the potential active components of Cimicifugae Rhizoma. Conclusion Cimicifugae Rhizoma carried out its therapeutic means in breast cancer treatment mainly through its behaviors of acting on targets such as ESR1, SRC, HRAS, etc, and regulating pathways in cancer, proteoglycans in cancer, and estrogen signaling pathway.

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中国博士后科学基金面上项目（2018M633721）；辽宁省科技特派行动专项计划（2020JH5/10400129）；辽宁省中药资源普查项目（2019020）