目的 本文将通过网络药理学结合分子对接对温经汤治疗原发性痛经作用机制进行预测。方法 利用TCMSP、TCMID及BATMAN-TCM数据库，收集温经汤活性成分并预测其作用靶标。通过GeneCards数据库、OMIM数据库筛选原发性痛经的靶标，并运用R软件获取疾病交集靶标，绘制韦恩图。运用Cytoscape软件构建温经汤治疗原发性痛经的成分-靶标网络图，通过STRING数据库构建PPI靶标蛋白互作网络，并进行核心靶标的GO功能富集分析及KEGG通路富集分析。通过Autodock Vina软件对药物活性成分与疾病核心靶标进行分子对接验证。结果 筛选得到温经汤治疗原发性痛经的124个活性成分和31个药物-疾病共同靶标，并推断其作用机制可能与介导HIF-1、TNF、PI3K-Akt等105条信号通路相关。槲皮素、山柰酚、豆甾醇等活性成分与PTGS1、ESR1、PGR等核心靶标对接结果良好。结论 温经汤活性成分可能通过发挥镇痛、抗炎、调节激素水平、缓解平滑肌痉挛和改善缺氧状态等药理作用来治疗原发性痛经。

Objective To predict the mechanism of Wenjing Decoction in the treatment of primary dysmenorrhea through network pharmacology research methods and molecular docking.Methods By using TCMSP, TCMID and BATMAN-TCM databases, the active components of Wenjing Decoction were collected and their targets were predicted. The targets of primary dysmenorrhea were screened out through GeneCards and OMIM databases. And R software was used to take the intersection and draw the Venn diagram. The Cytoscape software was used to construct the component-target network of Wenjing Decoction for the treatment of primary dysmenorrhea. PPI target protein interaction network was constructed through string database, and GO function enrichment analysis and KEGG pathway enrichment analysis of core targets were carried out. The molecular docking verification of drug active components and disease core targets was carried out by Autodock Vina software.Results The 124 active ingredients and 31 drug-disease common targets of Wenjing Decoction for the treatment of primary dysmenorrhea were screened, and its mechanism of action may be related to the mediation of 105 signal pathways such as HIF-1, TNF, PI3K-Akt. Active ingredients such as quercetin, kaempferol and stigmasterol had good docking results with proteins such as PTGS1, ESR1and PGR.Conclusion The active components of Wenjing Decoction may treat primary dysmenorrhea by exerting pharmacological effects such as analgesia, anti-inflammatory response, regulating hormone levels to relieve smooth muscle spasms and anti-hypoxic state.

中国生物技术发展中心国家重点研发计划项目（2018YFC1704100）：基于“道术结合”思路与多元融合方法的名老中医经验传承创新研究，负责人：xxx；东部地区名老中医学术观点、特色诊疗方法和重大疾病防治经验研究（2018YFC1704102）：项目名称xxx，负责人：黄旭春；国家中医药管理局王小云全国名老中医药专家传承工作室项目（国中医药人教发［2016］42），负责人：王小云。