目的 利用网络药理学和分子对接技术，系统探讨名中医经验方三七方治疗失眠的潜在作用机制。方法 通过中药系统药理学数据库与分析平台（TCMSP）筛选三七方的药物活性成分及其潜在靶点，并利用GeneCards、OMIM和TTD数据库筛选失眠相关靶点，结合韦恩图分析获取共有靶点；使用Cytoscape软件构建蛋白质-蛋白质相互作用（PPI）网络，筛选三七方的核心靶点蛋白，并绘制药物-成分-靶点网络图，确定主要活性成分。基于共有靶点，进行了基因本体（GO）和京都基因与基因组百科全书（KEGG）富集分析，揭示三七方治疗失眠的关键通路。为进一步验证分析结果，采用了Autodock软件进行分子对接验证。结果 三七方中的4味中药（酸枣仁、鸡血藤、小蓟、三七）共筛选得到37个活性成分和233个潜在靶点，与失眠症共有靶点82个。根据PPI网络分析和药物-成分-靶点网络筛选出29个活性成分和80个失眠相关靶点，其中关键靶点包括白细胞介素-6（IL-6）、肿瘤坏死因子（TNF）、白细胞介素-1β（IL-1β）、细胞肿瘤抗原P53（TP53）和RAC-α丝氨酸/苏氨酸蛋白激酶（AKT1）。核心活性成分为槲皮素、豆甾醇、β-谷甾醇和木犀草素。KEGG及GO富集分析共得到77条信号通路，主要涉及炎症反应、免疫应答、血脂代谢、动脉粥样硬化、活性氧产生及凋亡信号通路调控等分子机制。分子对接结果表明，核心成分与核心靶点具有较强的结合稳定性，可通过调控多个关键靶点发挥作用。结论 三七方通过多成分、多靶点、多通路协同起效发挥对失眠症治疗作用，其中抗炎作用及其可能的分子机制值得关注与进一步研究。

Objective To explore the potential mechanism of Sanqifang Formula in the treatment of insomnia using network pharmacology and molecular docking technology. Methods The active ingredients of Sanqifang Formula and the potential targets were screened through the Traditional Chinese Medicine System Pharmacology Database and Analysis Platform (TCMSP), and the insomnia related targets were screened by GeneCards, OMIM and TTD databases, and the common targets were obtained by Venn diagram analysis. Cytoscape software was used to construct the PPI network, screen the core target proteins of Sanqifang Formula, and draw the drug-component-target network diagram to determine the main active components. Based on the common targets, Gene Ontology (GO) enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were performed to disclose the key pathways of the Sanqifang Formula in treating insomnia. For the purpose of further validating the analysis results, Autodock software was adopted for molecular docking verification.Results A total of 37 active ingredients and 233 potential targets were screened from four Chinese herbs (Ziziphi Spinosae Semen, Spatholobus Suberectus Dunn, Herba Cirsii and Panax Notoginseng), and 82 targets were shared with insomnia. According to PPI network analysis and drug-component-target network diagram, 29 active ingredients and 80 targets related to insomnia were screened. Among them, the key targets include interleukin-6 (IL-6), tumor necrosis factor (TNF), interleukin-1β (IL-1β), cellular tumor antigen P53 (TP53) and RAC-α serine/threonine protein kinase (AKT1). The core active ingredients were quercetin, stigmasterol, β-sitosterol and luteolin. A total of 77 signaling pathways were obtained by KEGG and GO enrichment analysis, which were mainly involved in molecular mechanisms such as inflammatory response, immune response, lipid metabolism, atherosclerosis, reactive oxygen species production, and apoptosis signaling pathway regulation. Molecular docking results showed that the core components had strong binding stability to the core targets and could play a role by regulating multiple key targets. Conclusion Sanqifang Formula has synergistic effect on insomnia through multi-component, multi-target and multi-pathway, and its anti-inflammatory effect and possible molecular mechanism deserve attention and further study.

R285.5

上海市2022年度“科技创新行动计划”生物医药科技支撑专项项目（22S21900800，22S21900700）;国家中医药管理局第七批全国老中医药专家学术经验继承工作项目（国中医药人教函〔2022〕76号）;国家中医药管理局2022年全国名老中医药专家传承工作室建设项目“蒋健全国名老中医药专家传承工作室”（国中医药人教函〔2022〕75号）;国家中医药管理局中医药传承与创新“百千万”人才工程（岐黄工程）岐黄学者项目（国中医药办人教函〔2019〕62号）;上海市卫生和计划生育委员会上海市名老中医学术经验研究工作室建设项目（SHGZS-2017024）