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基于网络药理学及分子对接探究百合抗乳腺癌的作用机制OA

Exploring the mechanism of action of lily of the valley against breast cancer based on network pharmacology and molecular docking

中文摘要英文摘要

目的 基于网络药理学和分子对接预测百合治疗乳腺癌(BC)的作用机制.方法 通过靶点预测技术与生物信息学相结合的方法,预测百合治疗BC的作用靶点并对其进行功能及通路富集分析.结果 利用中药系统药理学数据库与分析平台(TCMSP)检索出百合具有 55 个靶点基因,在人类在线孟德尔遗传数据库(OMIM)和人类基因综合分析数据库(GeneGards)中获得 2501 个与BC密切相关的靶点基因.利用Cytoscape软件绘制百合与BC的蛋白互作关系网络图.结果 显示,百合的有效活性成分影响包括凋亡过程的积极调控、雌二醇的反应、细胞内类固醇激素受体信号通路等生物过程,也能具有多种分子功能如酶结合、雌激素反应元件结合、RNA聚合酶Ⅱ转录因子活性等,并通过调控癌症的途径、化学致癌-受体活化、P53 和白细胞介素等相关信号通路影响癌细胞生物学行为.结论 百合通过多成分多靶点多途径作用于BC细胞从而达到抑制BC的作用.

Objective Predict the mechanism of action of lily in the treatment of breast cancer(BC)based on network pharmacology and molecular docking.Methods By combining target prediction technology with bioinformatics,the action targets of lily in the treatment of BC were predicted and functional and pathway enrichment analyses were conducted on them.Results Using the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP),55 target genes of lilies were retrieved.A total of 2501 target genes closely related to BC were obtained in the Online Mendelian Inheritance in Man(OMIM)database and the GeneGards database.The protein-protein interaction network diagram between lilies and BC was plotted using Cytoscape software.The results show that the effective active components of lily affect biological processes including the positive regulation of apoptosis,the response of estradiol,intracellular steroid hormone receptor signaling pathways,etc.,and can also have multiple molecular functions such as enzyme binding,estrogen response element binding,RNA polymerase Ⅱ transcription factor activity,etc.And it affects the biological behavior of cancer cells by regulating related signaling pathways such as cancer pathways,chemocarcinogenic receptor activation,P53 and interleukin.Conclusion Lilies act on BC cells through multiple components,multiple targets and multiple pathways to achieve the effect of inhibiting BC.

王玫;潘青;杨雄;马成

甘肃省徽县人民医院普外二科,甘肃徽县 742300兰州大学第一临床医院普外九科,甘肃 兰州 730000甘肃省徽县人民医院普外二科,甘肃徽县 742300甘肃省徽县人民医院普外二科,甘肃徽县 742300

医药卫生

百合乳腺癌网络药理学分子对接活性靶点

LilyBreast cancerCyber pharmacologyMolecular dockingActive target

《中国医药科学》 2025 (13)

15-20,6

甘肃省中医药管理局科研项目(GZK-2019-96)甘肃省陇南市科技计划项目(2023-S.SZ-74).

10.20116/j.issn2095-0616.2025.13.03

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