目的 整合数据挖掘、网络药理学与分子对接技术，系统梳理国家中药复方专利中用于治疗子宫内膜异位症的组方规律，初步阐释其核心药物及潜在机制。方法 检索中国专利检索与分析平台截至2025年10月31日公开的相关中药复方专利。经双人独立筛选与标准化处理后，运用古今医案云平台（V2.3.5）开展频次统计、性味归经分析、关联规则挖掘、系统聚类及复杂网络分析，提炼核心处方。进一步通过TCMSP、SymMap、HERB等数据库获取核心药物的活性成分与作用靶点，结合GeneCards、OMIM、TTD等疾病数据库提取子宫内膜异位症相关靶点，构建“药物-成分-靶点”网络，并开展基因本体（GO）注释及京都基因与基因组百科全书（KEGG）通路富集分析，探究核心处方的作用机制；应用AutoDock Vina1.1.2软件对关键成分与核心靶点进行分子对接验证。结果 共纳入241项中药复方专利，涵盖624味中药。其中，使用频次≥35的高频药物共10味，累计占比达24.92%，药性以温、平、微寒为主，药味多属苦、辛、甘，归经集中于肝、脾、心、肾、肺经。关联规则分析识别出22组常用药对，提示活血化瘀、行气止痛为组方核心思路。系统聚类将高频药物划分为4类，复杂网络分析进一步确认当归、莪术、延胡索、三棱、丹参、川芎、桃仁、赤芍、桂枝、香附为核心药物。网络药理学分析显示，该核心处方的核心靶点涉及TP53、表皮生长因子受体（EGFR）、白细胞介素（IL） 6、β-连环蛋白（CTNNB1）、蛋白激酶B1（AKT1）、信号转导与转录激活因子3（STAT3）、SRC激酶（SRC）、肿瘤坏死因子（TNF）、B细胞淋巴瘤2蛋白（BCL2）及IL1B，主要活性成分包括芍药内酯苷代谢产物、黄芩素、2-(4-羟基-3-甲氧基苯基)-5-(3-羟丙基)-7-甲氧基-3-苯并呋喃甲醛、木犀草素、香紫苏醇、双去甲氧基姜黄素、金圣草素、异鼠李素、山柰酚和槲皮素。GO与KEGG富集分析提示，其作用机制可能涉及癌症通路、磷脂酰肌醇3-激酶（PI3K）/蛋白激酶B（Akt）信号轴、炎症反应调控及脂质代谢等关键生物过程。分子对接结果表明，关键靶点与核心活性成分结合能均低于-22.4 kJ·mol^-1，其中EGFR与木犀草素、黄芩素等，AKT1与双去甲氧基姜黄素、木犀草素等结合稳定性较高。结论 治疗子宫内膜异位症的中药复方专利核心处方药物包括当归、莪术、延胡索、三棱、丹参、川芎、桃仁、赤芍、桂枝、香附，通过调控EGFR、AKT1等核心靶点，介导PI3K/Akt等关键信号通路，多维度干预子宫内膜异位症的炎症反应、细胞异常增殖与凋亡等核心病理过程。

Objective To integrate data mining, network pharmacology and molecular docking techniques to systematically analyze the formulaic rules of traditional Chinese medicine (TCM) compound patents for the treatment of endometriosis, and to preliminarily explain the core drugs and potential mechanisms. Methods Relevant TCM compound patents published on the China Patent Search and Analysis Platform up to October 31, 2025 were retrieved. After independent screening and standardization by two individuals, the Ancient and Modern Medical Case Cloud Platform (V2.3.5) was used to conduct frequency statistics, analysis of taste and meridian tropism, association rule mining, systematic clustering and complex network analysis to extract core prescriptions. Further, the active components and action targets of core drugs were obtained from databases such as TCMSP, SymMap, and HERB, and the targets related to endometriosis were extracted from disease databases such as GeneCards, OMIM, and TTD. A “drug-component-target” network was constructed, and Gene Ontology (GO) annotation and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were conducted to explore the mechanism of action of the core prescriptions. Molecular docking was performed using AutoDock Vina 1.1.2 software to verify the key components and core targets. Results A total of 241 TCM compound patents were included, covering 624 TCMs. Among them, 10 high-frequency drugs with a frequency of ≥ 35 were identified, accounting for 24.92% cumulatively. The properties were mainly warm, neutral, and slightly cold, and the flavors were mostly bitter, pungent, and sweet, with meridian tropism concentrated in the liver, spleen, heart, kidney, and lung. Association rule analysis identified 22 common drug pairs, suggesting that promoting blood circulation and removing blood stasis, and regulating qi and relieving pain were the core ideas of the formula. Systematic clustering divided the high-frequency drugs into 4 categories, and complex network analysis further confirmed that Angelicae Sinensis Radix, Curcumae Rhizoma, Corydalis Rhizoma, Salviae Miltiorrhizae Radix et Rhizoma, Persicae Semen, Paeoniae Radix Rubra Chuanxiong Rhizoma Sparganii Rhizoma Cinnamomi Ramulus, and Cyperi Rhizoma were the core drugs. Network pharmacology analysis showed that the core targets of this core prescription included TP53, epidermal growth factor receptor (EGFR), interleukin (IL) 6, β-catenin (CTNNB1), AKT1 kinase (AKT1), signal transducer and activator of transcription 3 (STAT3), SRC kinase (SRC), tumor necrosis factor (TNF), B-cell lymphoma 2 protein (BCL2), and IL1B. The main active components included Albiflorin qt, baicalein, 2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-3-benzofuran carboxaldehyde, luteolin, sclareol, bisdemethoxycurcumin, chrysoeriol, isorhamnetin, kaempferol, and quercetin. GO and KEGG enrichment analysis suggested that the mechanism of action might involve cancer pathways, phosphatidylinositol 3-kinase (PI3K)/protein kinase B (Akt) signaling axis, regulation of inflammatory response, and lipid metabolism. Molecular docking results indicated that the binding energies of key targets and core active components were all below -22.4 kJ·mol^-1, with EGFR and luteolin, baicalein, etc., and AKT1 and bisdemethoxycurcumin, luteolin, etc., having higher binding stability. Conclusion The core drugs of TCM compound patents for the treatment of endometriosis include Angelicae Sinensis Radix, Curcumae Rhizoma, Corydalis Rhizoma, Salviae Miltiorrhizae Radix et Rhizoma Persicae Semen, Paeoniae Radix Rubra, Chuanxiong Rhizoma, Sparganii Rhizoma, Cinnamomi Ramulus, and Cyperi Rhizoma. They mediate key signaling pathways such as PI3K/Akt by regulating core targets such as EGFR and AKT1, and multidimensionally intervene in the core pathological processes of endometriosis, such as inflammatory response, abnormal cell proliferation, and apoptosis.

R285.5

国家自然科学基金面上项目（82372637,82172774）；安徽省临床医学研究转化专项（202427b10020070,202427b10020072）；安徽中医药大学2024年度临床科研项目（2024YFYLCZX01）