目的 采用网络药理学和分子对接技术探讨杜仲治疗先兆流产的潜在作用靶点及其分子机制。方法 基于前期的研究成果，结合中药系统药理学数据库与分析平台（TCMSP）和文献报道补充筛选杜仲的活性成分，从GeneCards、OMIM和DisGeNET数据库中筛选先兆流产疾病靶点，利用韦恩图绘制平台获取共有靶点后，导入Cytoscope3.9.0软件和STRING在线分析平台，进行网络拓扑学分析。通过DAVID数据库对核心靶点进行基因本体（GO）功能分析和京都基因与基因组百科全书（KEGG）信号通路富集分析；最后采用AutoDockTools 1.5.6软件进行分子对接验证，并将对接结果可视化。结果 共筛选得到包括β-胡萝卜素、绿刺桐灵、山柰酚、丁香黄素、槲皮素等16个杜仲潜在活性成分，通过预测得到的成分靶点387个，疾病靶点5 287个，并得到共同靶点247个；经蛋白质相互作用（PPI）分析及网络拓扑分析后，获取核心靶点10个，包括丝氨酸/苏氨酸蛋白激酶（Akt1）、酪氨酸蛋白激酶转化蛋白（SRC）、半胱氨酸蛋白酶3(CASP3)、表皮生长因子受体（EGFR）、雌激素受体（ESR1）、缺氧诱导因子-1α(HIF-1A)、前列腺素G/H合酶2(PTGS2)、基质金属蛋白酶9(MMP9)、热休克蛋白HSP90-β(HSP90AB1)、糖原合成酶激酶-3β(GSK3B)。GO富集到基因功能120个，KEGG富集到信号通路53条，分析结果表明，KEGG富集分析关键靶点主要富集在癌症通路、癌症中的蛋白聚糖、雌激素信号通路等信号通路中；分子对接结果显示核心成分与核心靶点具有较好的构象。结论 揭示了杜仲在预防先兆流产中的多成分、多靶点、多通路的作用机制。

Objective To explore the potential targets and molecular mechanism of Eucommiae Cortex in treatment of threatened abortion by network pharmacology and molecular docking. Methods Based on the research results, combined with the TCMSP, and literature reports, the active components of Eucommiae Cortex were screened. And the targets of threatened abortion were screened from the GeneCards, OMIM, and DisGeNET database. The common targets were obtained by using the Venn diagram drawing platform, and the information was imported into Cytoscope 3.9.0 software and STRING online analysis platform for network topology analysis. GO function analysis and KEGG signal pathway enrichment analysis were performed on the core targets through the DAVID database. Finally, AutoDockTools 1.5.6 software was used for molecular docking verification, and the docking results were visualized.Results A total of 16 potential active components of Eucommiae Cortex were screened, such as β-carotene, erythraline, kaempferol, syringetin, quercetin, and 387 component targets, 5 287 disease targets, and 247 common targets were obtained by prediction. After protein interaction analysis and network topology analysis, 10 core targets were obtained, including Akt1, SRC, CASP3, EGFR, ESR1, HIF-1A, PTGS2, MMP9, HSP90AB1, GSK3B. GO was enriched to 120 gene functions, and KEGG was enriched to 53 signaling pathways. The analysis results showed that the key targets of KEGG enrichment analysis were mainly enriched in cancer pathways, proteoglycans in cancer, estrogen signaling pathways and other signaling pathways. The results of molecular docking showed that the core component and the core target had a good conformation. Conclusion The multi-component, multi-target and multi-pathway mechanism of Eucommiae Cortex in preventing threatened abortion was revealed.

R285.5

浙江省基础公益研究计划项目(LTGN23H280001); 浙江省中医药科技计划中医药现代化专项项目(2020ZX006); 杭州市农业与社会发展科研重点项目(202204A06)