基于网络药理学及分子对接技术分析蛇床子治疗早泄作用机制
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R285

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温州市基础性科研项目(Y20210236);上海大学温州研究院上达转化医学基金科研项目(SDTNF2022EP08);国家教育部产学合作协同育人项目(202102242026)


Analysis of Therapeutic Mechanism of Cnidium Monnieri in Treating Premature Ejaculation Based on Network Pharmacology and Molecular Docking Technology
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    目的:运用网络药理学及分子对接技术分析蛇床子治疗早泄的主要靶点及其作用机制。方法:通 过TCMSP数据库获取蛇床子主要药效成分及其靶点,在Drugbank和GeneCards数据库中获取疾病靶点,建立蛇 床子-主要成分-交集基因网络图,运用String数据库得到蛋白相互作用(PPI) 网络图,再利用David数据库进 行基因本体(GO) 分析和京都基因与基因组百科全书(KEGG) 通路分析,最后进行分子对接。结果:蛇床子 的有效成分20个,关键靶点10个。GO功能富集分析显示:蛇床子主要在膜、细胞核、细胞质、细胞膜、转移 酶、受体、激酶等进行调控。KEGG通路富集分析显示:蛇床子主要涉及PI3K-Akt信号通路、甲状腺激素信号 通路、癌症通路、前列腺癌通路。分子对接显示:AKT1、ESR1、EGFR、JUN与蛇床子素结合稳定。结论:蛇 床子可能通过蛇床子素作用于AKT1、ESR1、EGFR、JUN等靶点,通过PI3K-Akt信号通路、甲状腺激素信号 通路、癌症通路、前列腺癌通路的调控作用治疗早泄。

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    Abstract:Objective:To analyze the main targets and therapeutic mechanisms of Cnidium Monnieri in treating premature ejaculation using network pharmacology and molecular docking technology. Methods: The main active components and their targets of Cnidium Monnieri were obtained from the TCMSP database. Disease-related targets were retrieved from the DrugBank and GeneCards databases. A Cnidium Monnieri-active components-intersecting gene network was constructed. The protein-protein interaction (PPI) network was obtained using the String database. Gene Ontology (GO) analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis were performed using the DAVID database, followed by molecular docking. Results: A total of 20 active components and 10 key targets of Cnidium Monnieri were identified. GO functional enrichment analysis showed that Cnidium Monnieri mainly regulates functions in the membrane, nucleus, cytoplasm, plasma membrane, transferase, receptor, and kinase. KEGG pathway enrichment analysis indicated that Cnidium Monnieri is involved in the PI3K-Akt signaling pathway, thyroid hormone signaling pathway, cancer pathway, and prostate cancer pathway. Molecular docking results showed stable binding of Cnidium Monnieri's active component (Osthole) to targets such as AKT1,ESR1,EGFR,and JUN. Conclusion: Cnidium Monnieri may exert its therapeutic effects by Osthole on premature ejaculation by acting on targets such as AKT1, ESR1, EGFR, and JUN through the regulation of the PI3K-Akt signaling pathway, thyroid hormone signaling pathway,cancer pathway,and prostate cancer pathway.

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章洪,刘叶梓,高雅婷,黄淑娴,欧洋帆,谢作钢.基于网络药理学及分子对接技术分析蛇床子治疗早泄作用机制[J].新中医,2025,57(9):212-219

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  • 在线发布日期: 2025-05-12
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