摘要
目的:基于网络药理学与分子对接方法,探讨“菟丝子-太子参-柴胡”角药治疗卵巢储备功能减退(Diminished ovarian reserve,DOR)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)检索获取“菟丝子-太子参-柴胡”角药有效活性成分及潜在靶点,通过GeneCards、OMIM、DisGeNET数据库获取DOR疾病靶点,将两者取交集获得角药治疗疾病的作用靶点。基于STRING数据库及Cytoscape 3.9.1软件进行蛋白质相互作用(PPI)分析得到“中药-疾病-靶点”网络和角药治疗疾病的核心靶点。基于GO功能富集分析、KEGG信号通路富集分析得到角药治疗疾病作用靶点的主要功能注释与体内通路。基于AutoDockVina软件进行关键有效活性成分与核心靶点蛋白分子对接,验证预测结果。结果:角药活性成分25个;相关靶点中95个与DOR疾病相关;潜在调控AGE-RAGE、PI3K-Akt、IL-17等150条信号通路;核心靶点AKT1、IL-6、TNF、VEGFA、TP53、IL-1β与对应活性成分均有较好结合能力。结论:“菟丝子-太子参-柴胡”角药可以通过多成分、多靶点、多途径协同发挥治疗DOR作用。
Objective:Based on network pharmacology and molecular docking methods,the potential mechanism of Tusizi-Taizishen-Chaihu triplet herbs in the treatment of diminished ovarian reserve(DOR)was discussed.Methods:Through the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP),the effective active ingredients and potential targets of Cuscuta chinensis-Radix Pseudostellariae-Chaihu were obtained,and the DOR disease targets were obtained by using GeneCards,OMIM and DisGeNET databases.The intersection of the two was used to obtain the target of triplet herbs in the treatment of diseases.Based on the STRING database and Cytoscape 3.9.1 software,protein-protein interaction(PPI)analysis was performed to obtain the Chinese medicine-disease-target network and the core targets of angle medicine in the treatment of diseases.Based on GO functional enrichment analysis and KEGG signaling pathway enrichment analysis,the main functional annotations and in vivo pathways of the targets of horn drugs for the treatment of diseases were obtained.Based on AutoDock Vina software,the key effective active components were docked with the core target proteins to verify the prediction results.Results:A total of 25 active components were screened,and a total of 95 related targets were related to DOR,which potentially regulated 150 signaling pathways such as AGE-RAGE,PI3K-Akt,and IL-17.The results of molecular docking showed that the top 5(6 in total)core targets AKT1,IL-6,TNF,VEGFA,TP53 and IL-1βhad good binding ability to the corresponding active components.Conclusion:The Tusizi-Taizishen-Chaihu angle medicine can play a synergistic role in the treatment of DOR through multi-component,multi-target and multi-channel,and provide a reference for in-depth mechanism research and clinical application.
作者
刘珍珍
滕秀香
张雨晴
陈梦园
游瑾渝
蔡梦琴
Liu Zhenzhen;Teng Xiuxiang;Zhang Yuqing;Chen Mengyuan;You Jinyu;Cai Mengqin(Bao an Authentic TCM Therapy Hospital,Shenzhen 518101,China;Beijing Hospital of Traditional Chinese Medicine Affiliated to Capital Medical University,Beijing 100010,China)
出处
《亚太传统医药》
2025年第6期144-150,共7页
Asia-Pacific Traditional Medicine
基金
首都卫生发展科研专项(首发2022-2-2233)。
关键词
卵巢储备功能减退
网络药理学
分子对接
角药
Diminished Ovarian Reserve
Network Pharmacology
Molecular Docking
Triplet Herbs
作者简介
刘珍珍(1994-),女,硕士,深圳市宝安纯中医治疗医院医师,研究方向为卵巢储备功能减退、宫颈病变相关疾病;通讯作者:滕秀香(1964-),女,首都医科大学附属北京中医医院主任医师,教授,研究方向为卵巢储备功能减退、宫颈病变相关疾病。E-mail:tengxx@126.com。
