基于Apriori算法、Phi系数与Ward.D聚类的中药治疗排卵障碍性不孕症排卵期用药规律及作用机制研究OA
Medication Rules and Mechanism of Traditional Chinese Medicine in the Treatment of Ovulatory Disorder Infertility During the Ovulatory Phase Based on Apriori Algorithm,Phi Coefficient and Ward.D Clustering
目的:基于 Apriori 算法、Phi 系数与 Ward.D 聚类探究中医药治疗排卵障碍性不孕症(ODI)排卵期的用药规律并发掘其潜在作用机制.方法:检索中国知网、万方、PubMed 数据库中药治疗 ODI 的临床文献,录入规范化处方,采用 R 语言对药味及其四气、五味、归经进行频次分析,挖掘关联规则,结合 Ward.D 算法进行层次聚类分析,最终通过共现分析进行可视化展示,筛选ODI 排卵期用药的核心处方及潜在靶点,进行蛋白质相互作用分析以及 GO 和 KEGG 富集分析;利用分子对接技术,评估主要活性成分与其对应靶点的结合能力及稳定性.结果:共筛选出 ODI 排卵期使用的中药方剂 157 条,涉及 190 味中药,其中高频药物包括当归、菟丝子、熟地黄等,性味以"性温、味甘、归肝、肾经"为主.核心处方为"当归、菟丝子、熟地黄、山药、山茱萸".核心处方的活性成分谷甾醇、豆甾醇、异岩藻甾醇、β-谷甾醇、金丝桃苷等主要通过作用于 CXCL8 等关键靶点,调节癌症通路、化学致癌作用-受体激活、内分泌抵抗、雌激素调节等信号通路,并与关键靶点 CXCL8 具有较好的结合能力及稳定性.结论:中药治疗 ODI排卵期使用的核心处方配伍源自经典名方右归丸.其主要成分通过调节癌症通路、化学致癌作用-受体激活、内分泌抵抗、雌激素调节等信号通路改善整体机能状态,促进排卵.
OBJECTIVE:To explore the medication rules and potential mechanism of action of traditional Chinese medicine(TCM)in the treatment of ovulatory disorder infertility(ODI)during the ovulatory phase based on the Apriori algorithm,Phi coefficient and Ward.D clustering.METHODS:Clinical literature on TCM in the treatment of ODI was retrieved from CNKI,Wanfang and PubMed databases.Standardized prescriptions were entered,and R software was used to perform frequency analysis on the herbs and their four natures,five flavors and channel tropism.Association rules were mined,and hierarchical cluster analysis was conducted using the Ward.D algorithm.Finally,co-occurrence analysis was used for visualization.The core prescriptions and potential targets for the treatment of ODI were screened,and protein-protein interaction analysis as well as GO and KEGG enrichment analyses were performed.Molecular docking technology was used to evaluate the binding affinity and stability between the main active ingredients and their corresponding targets.RESULTS:A total of 157 TCM formulas for the treatment of ODI were screened,involving 190 herbs.High-frequency herbs included Angelicae sinensis,Cuscutae chinensis and Rehmanniae glutinosa,etc.The natures and flavors of the herbs were mainly warm,sweet,and attributed to the liver and kidney meridians.The core prescription consisted of A.sinensis,C.chinensis,R.glutinosa,Dioscoreae opposita and Cornius officinalis.The active ingredients of the core prescription,including sitosterol,stigmasterol,isofucosterol,β-sitosterol,hyperoside,etc.,mainly acted on key targets such as CXCL8 to regulate cancer pathways,chemical carcinogenesis-receptor activation,endocrine resistance,estrogen regulation and other signaling pathways,and exhibited favorable binding affinity and stability with the key target CXCL8.CONCLUSIONS:The compatibility of the core prescription used in the TCM treatment of ODI is derived from the classical prescription Yougui pill.Its main components can improve the overall functional state and promote ovulation by regulating cancer pathways,chemical carcinogenesis-receptor activation,endocrine resistance,estrogen regulation and other signaling pathways.
郑文丽;李睿佳;魏艳婷;贡磊磊
石家庄市第二医院药剂科,石家庄 050051||李春花全国名老中医药专家传承工作室,石家庄 050200四川大学华西药学院,成都 610065李春花全国名老中医药专家传承工作室,石家庄 050200||石家庄市第四医院药剂科,石家庄 050000首都医科大学附属北京妇产医院药学部,北京 100020
医药卫生
中医药不孕症排卵期Apriori算法Ward.D聚类Phi系数
Traditional Chinese medicineInfertility during ovulatory phaseApriori algorithmWard.D cluste-ringPhi coefficient
《中国医院用药评价与分析》 2026 (9)
1032-1039,8
国家自然科学基金资助项目(No.82204698)河北省中医药管理局科研计划项目(No.2025110)
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