基于网络药理学和分子对接技术探讨菟丝子改善卵巢储备功能减退作用机制
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R285

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江苏省中医药管理局科技专项(2020ZX21);江苏省研究生实践创新工程项目(SJCX22_1833,SJCX23_2048)


Exploring Mechanism of Cuscutae Semen in Improving Diminished Ovarian Reserve Based on Network Pharmacology and Molecular Docking Technology
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    摘要:

    目的:通过网络药理学和分子对接技术分析菟丝子改善卵巢储备功能减退(DOR) 的作用机制。 方法:采用中药系统药理学分析平台(TCMSP) 检索菟丝子的有效活性成分;通过GeneCards、OMIM 和 Disgent 等数据库预测菟丝子有效活性成分和DOR 的相关靶点;利用String 数据库构建蛋白互作图,导入 Cytoscape软件进行可视化分析;使用Hiplot数据库对交集靶点进行GO和KEGG富集分析;最后利用AutoDock 软件进行分子对接验证。结果:菟丝子含有山奈酚、槲皮素、异鼠李素等14个有效活性成分,其调节DOR的 靶点共58个,其中包括AKT1、EGFR、TNF、IL-6、TGFB1、CASP3、MMP9、BCL2、ESR1、TP53等10个关 键靶点。核心通路主要为脂质与动脉粥样硬化、PI3K-Akt等信号通路。分子对接结果显示,核心成分与关键 靶点有较好的结合活性。结论:菟丝子中的山奈酚、槲皮素、异鼠李素等主要活性成分,通过作用于AKT1、 EGFR、TNF、IL-6等靶点,激活或抑制脂质与动脉粥样硬化、PI3K-Akt等信号通路而发挥生殖保护作用。

    Abstract:

    Abstract: Objective: To analyze the mechanism of Cuscutae Semen in improving diminished ovarian reserve (DOR) using network pharmacology and molecular docking technology. Methods: The active components of Cuscutae Semen were retrieved from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP). Potential targets of the active components and DOR-related targets were predicted through GeneCards,OMIM,and DisGeNET databases. A protein-protein interaction network was constructed using the String database and visualized with Cytoscape software. GO and KEGG enrichment analyses of the intersecting targets were performed using the Hiplot database. Finally,molecular docking verification was conducted using AutoDock software. Results:Cuscutae Semen contains 14 active components including kaempferol,quercetin,and isorhamnetin,with 58 potential targets for DOR regulation,including 10 key targets:AKT1,EGFR,TNF,IL-6,TGFB1,CASP3, MMP9,BCL2,ESR1,and TP53. The core pathways mainly included lipid and atherosclerosis,PI3K-Akt signaling pathways, etc. Molecular docking results showed good binding activity between core components and key targets. Conclusion: The main active components of Cuscutae Semen (kaempferol, quercetin, isorhamnetin, etc.) exert reproductive protective effects by acting on targets such as AKT1, EGFR, TNF, and IL-6 to activate or inhibit signaling pathways including lipid and atherosclerosis,PI3K-Akt,etc.

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朱悦,刘子沁,金雪宁,崔树娜.基于网络药理学和分子对接技术探讨菟丝子改善卵巢储备功能减退作用机制[J].新中医,2025,57(13):211-220

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  • 在线发布日期: 2025-07-14
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