目的 应用网络药理学和分子对接的方法探索丹参治疗乳腺癌的作用靶点及分子机制。方法 由TCMSP数据库检索丹参的活性成分，由GeneCards、OMIM、TTD数据库筛选乳腺癌的作用靶点，使用Cytoscape软件构建“成分-疾病-靶点”网络图。由STRING平台构建蛋白相互作用（PPI）网络。通过DAVID数据库进行基因本体（GO）功能和京都基因与基因组百科全书（KEGG）通路富集分析，再由AutoDock Vina软件完成活性成分与核心靶点的分子对接验证，计算结合能，最终通过PyMol软件将对接结果可视化。结果 筛选出丹参成分的对应靶点114个，疾病靶点2 488个，得到共同靶点67个。富集分析表明共同靶点主要参与RNA转录、基因表达、细胞增殖与凋亡等生物过程，包括大分子复合物、细胞核、细胞质等细胞组分，具有酶结合、蛋白质结合、蛋白磷酸酶结合等分子功能，参与癌症通路、前列腺癌、脂质和动脉粥样硬化、磷脂酰肌醇3激酶（PI3K）/蛋白激酶B（Akt）信号通路等。分子对接结果表明，木犀草素、隐丹参酮、二氢丹参酮Ⅰ、丹参酮Ⅱ_A与关键靶点Akt1、肿瘤抑制基因（TP53）、表皮生长因子受体（EGFR）、肿瘤坏死因子（TNF）、半胱氨酸天冬氨酸蛋白酶3（CASP3）、血管内皮生长因子A（VEGFA）的分子对接结合能均小于−5 kJ/mol。结论 木犀草素、隐丹参酮、二氢丹参酮Ⅰ、丹参酮Ⅱ_A是中药丹参的主要成分，通过AKT1、TP53、EGFR、TNF、CASP3、VEGFA等关键靶点，调节癌症通路、PI3K/Akt信号通路等发挥抗乳腺癌的作用。

Objective To explore mechanism of Salviae Miltiorrhizae Radix et Rhizoma in treatment of breast cancer based on network pharmacology and molecular docking. Methods The active ingredients of Salviae Miltiorrhizae Radix et Rhizoma were searched by TCMSP database, the targets of breast cancer were collected from GeneCards, OMIM, and TTD databases, and Cytoscape software was employed to establish the "composition-disease-targets" network. The PPI network was constructed by STRING platform and the map was visualized. DAVID database was used for GO function and KEGG pathway enrichment, then AutoDock Vina software was used for molecular docking to predict the binding performance of active ingredients and core targets, the results were visualized by PyMol software ultimately. Results 114 Corresponding targets for Salviae Miltiorrhizae Radix et Rhizoma and 2 488 disease targets were screened out, 67 common targets were obtained. The results of GO enrichment analysis showed that common targets were mainly involved in biological process such as RNA transcription, gene expression and apoptosis, cellular component such as macromolecular complex, nucleus and cytoplasm, molecular function such as enzyme binding, protein binding and protein phosphatase binding. KEGG enrichment analysis mainly point to pathways in cancer, prostate cancer, lipid and atherosclerosis, PI3K/Akt signaling pathway, etc. Molecular docking results revealed that luteolin, tanshinone Ⅱ_A, cryptotanshinone, and dihydrotanshinone Ⅰ can be tightly bonded with core targets Akt1, TP53, EGFR, TNF, CASP3, and VEGFA, the binding energy was less than −5 kJ/mol. Conclusion Luteolin, tanshinone Ⅱ_A, cryptotanshinone, and dihydrotanshinone Ⅰ are the core active compounds of Salviae Miltiorrhizae Radix et Rhizoma These ingredients play a role in treatment of breast cancer through key targets, by regulating cancer pathways, PI3K/Akt signaling pathways, etc.

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国家自然科学基金资助项目（81673764）；教育部产学合作协同育人项目（220906291010203）