目的 综合运用数据挖掘、网络药理学与分子对接技术，系统总结国家中药复方专利中用于治疗人乳头瘤病毒（HPV）感染的组方规律，并探讨其核心处方的潜在分子机制。方法 在中国专利检索与分析平台检索自建库至2026年1月公开的治疗HPV相关中药复方专利。经双人独立筛选与标准化处理后，提取中药复方。采用古今医案云平台（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以筛选核心处方。进而通过TCMSP、SymMap、HERB等数据库获取核心药物的活性成分与作用靶点，并整合GeneCards、OMIM、TTD等疾病数据库提取HPV相关靶点，构建“药物-成分-靶点”网络，并开展基因本体（GO）和京都基因与基因组百科全书（KEGG）富集分析。最终选取关键成分与核心靶点进行分子对接验证。结果 共纳入108项中药复方，涵盖328味中药。其中，使用频次≥19的高频中药共10味，累计占比达24.69%，依次为黄柏、苦参、甘草、黄芪、蛇床子、金银花、紫草、土茯苓、蒲公英与白花蛇舌草。药性以寒、温、平为主，药味多属苦、甘、辛，归经集中于肝、心、脾、胃、肺经。关联规则分析得到17组高频药对，代表性组合如“蛇床子→苦参”“苦参→黄柏”“蛇床子→黄柏”等，提示清热利湿为组方主旨。系统聚类将高频中药划分为4类，复杂网络分析进一步确认苦参、蛇床子、黄柏、金银花、甘草、黄芪、土茯苓为核心中药。网络药理学分析显示，该核心处方相关的244个潜在靶点与4 017个疾病靶点取交集后，获得153个共同靶点。核心靶点涉及TP53肿瘤蛋白（TP53）、AKT1丝氨酸/苏氨酸蛋白激酶（AKT1）、雌激素受体1（ESR1）、白细胞介素6（IL6）、肿瘤坏死因子（TNF）、MYC原癌基因（MYC）、信号转导和转录激活因子3（STAT3）、表皮生长因子受体（EGFR）、半胱氨酸天冬氨酸蛋白酶3（CASP3）和缺氧诱导因子1α（HIF1A）等，主要活性成分包括槲皮素、山柰酚、木犀草素、7-O-甲基异黏糠内酯醇、柚皮素、芒柄花黄素、β-谷甾醇、异鼠李素、7-甲氧基-2-甲基异黄酮和异紫堇杷明碱等。分子对接结果提示，EGFR与β-谷甾醇、木犀草素、槲皮素，ESR1与芒柄花黄素、7-甲氧基-2-甲基异黄酮，TP53与β-谷甾醇等结合更为稳定，进一步支持其潜在抑制作用。结论 挖掘得到HPV感染核心中药复方，其活性成分通过多靶点、多通路阻断HPV E6/E7诱导的宫颈癌变过程，为中医药干预HPV感染提供了研究依据。

Objective To systematically elucidate the composition patterns of traditional Chinese medicine (TCM) compound prescriptions for treating human papillomavirus (HPV) infection documented in national patents, and to further explore the potential molecular mechanisms of the core prescription, by integrating data mining, network pharmacology, and molecular docking techniques. Methods Relevant TCM compound patents published up to December 2025 were retrieved from the China Patent Retrieval and Analysis Platform. After independent dual screening and standardized processing, TCM compound prescriptions were extracted. The “Cloud Platform for Ancient and Modern Medical Cases” (V2.3.5) was employed to conduct frequency statistics, analysis of properties/flavors and meridian tropism, association rule mining, systematic clustering, and complex network analysis to identify the core prescription. Further, active ingredients and corresponding targets of core drugs were obtained from databases such as TCMSP, SymMap, and HERB. HPV-related targets were extracted from disease databases including GeneCards, OMIM, and TTD to construct a “drug-ingredient-target” network and perform GO and KEGG enrichment analyses. Finally, key ingredients and core targets were selected for molecular docking validation (AutoDock Vina 1.1.2). Results A total of 108 TCM compound formulas were included, covering 328 herbal medicines. Among them, 10 high-frequency herbs with a usage frequency ≥19 were identified, cumulatively accounting for 24.69% of the total. The medicinal properties were predominantly cold, warm, and neutral in nature, with flavors mainly bitter, sweet, and pungent, and the channel tropism concentrated in the liver, heart, spleen, stomach, and lung meridians. Association rule analysis identified 17 commonly used herb pairs, suggesting that clearing heat and draining dampness constituted the core formuladesign strategy. Systematic clustering classified the high-frequency herbs into four clusters, and complex network analysis confirmed that Sophorae Flavescentis Radix, Cnidii Fructus, Phellodendri Chinensis Cortex, Lonicerae Japonicae Flos, Glycyrrhizae Radix et Rhizoma, Astragali Radix, and Smilacis Glabrae Rhizoma were the core herbs. Network pharmacology analysis showed that 244 targets of the core prescription intersected with 4 017 disease targets, yielding 153 common targets, from which core targets and main active components were screened. Molecular docking results showed that EGFR with β-sitosterol, luteolin, and quercetin; ESR1 with formononetin and 7-methoxy-2-methylisoflavone; And TP53 with β-sitosterol, further validating their potential inhibitory effects. Conclusion Based on national TCM compound patent data, this study identified the core prescription “Phellodendri Chinensis Cortex-Sophorae Flavescentis Radix-Glycyrrhizae Radix et Rhizoma-Astragali Radix-Cnidii Fructus-Lonicerae Japonicae FlosSmilacis Glabrae Rhizoma” for treating HPV infection. Network pharmacology and molecular docking techniques preliminarily revealed its synergistic regulatory mechanism characterized by “multi-component, multi-target, multi-pathway”. The findings provide a theoretical basis for a deeper understanding of TCM medication patterns for this disease and the modern pharmacological foundation of the core prescription, while also guiding subsequent experimental validation and new drug development.

R965

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（202427b10020070，202427b10020072，202427b10020013）；安徽省高水平传承人才支持项目（皖中医药发展秘[2024]1号）；安徽省卫生健康委“安徽省中医药学术流派‘庐江徐氏妇科流派’传承工作室建设项目”（皖中医药发展秘[2021]30号）；安徽省卫生健康科研项目（AHWJ2023A20327）；安徽省卫生健康委“第二批长三角名中医工作室‘尤昭玲（全国名中医）工作室’项目”（皖中医药发展秘[2023]16号）；安徽省高等学校自然科学研究项目（2024AH050962）；安徽中医药大学2024年度临床科研项目（2024YFYLCZX01）