基于网络药理学及分子对接探讨鹅不食草抗鼻咽癌的物质基础及作用机制  

Exploring the Material Basis and Mechanism of Centipeda minima against Nasopharyngeal Carcinoma Based on Network Pharmacology and Molecular Docking

作　　者：王嘉颖 黄丽羽 黎宝佶 刘潼 吴黎川 

机构地区：[1]广西大学医学院,广西 南宁

出　　处：《药物资讯》2025年第1期41-51,共11页Pharmacy Information

基　　金：广西大学大学生创新创业训练计划项目(S202310593281)。

摘　　要：目的:探讨鹅不食草抗鼻咽癌的药效及作用机制。方法:通过网络药理学及Cytoscape 3.9.1软件构建鹅不食草活性成分–靶点–鼻咽癌作用网络图;利用GO/KEGG开展富集分析;利用分子对接阐明核心靶点与活性成分的相互作用。结果:共筛选出鹅不食草活性成分15个,预测出144个潜在抗鼻咽癌靶点;PI3K-Akt信号通路可能是鹅不食草抗鼻咽癌的主要作用通路;TNF、AKT1、CASP3、STA3以及EGFR是鹅不食草抗鼻咽癌的关键靶点。结论:槲皮素、槲皮苷、2β-羟基-2,3-二氢-6-O-短叶老鹤草素A、[2-hydroxy-2-(2-hydroxy-4-methylphenyl)-3-(2-methylpropanoyloxy)propyl] 2-methylpropanoate、当归酸心菊内酯可能是鹅不食草抗鼻咽癌的物质基础,与调控TNF、AKT1、CASP3、STA3以及EGFR信号通路有关。Objective: To investigate the efficacy and mechanism of Centipeda minima against nasopharyngeal carcinoma (NPC). Methods: The network of active ingredient-target-nasopharyngeal carcinoma was constructed by network pharmacology and using Cytoscape 3.9.1 software. Enrichment analysis was performed via GO/KEGG. The interactions between key core targets and active ingredients were explored by molecular docking. Results: 15 active components were selected, yielding 144 potential targets;PI3K-Akt signaling pathway may be the main role of NPC;TNF, AKT1, CASP3, STA3 and EGFR are the key targets of NPC. Conclusion: Quercetin, 2β-hydroxy-2,3-dihydrogen-6-O-A, [2-hydroxy-2-(2-hydroxy-4-methylphenyl)-3-(2-methylpropanoyloxy)propyl] 2-methylpropanoate and A may be the material basis of NPC, and are related to the regulation of TNF, AKT1, CASP3, STA3 and EGFR signaling pathway.

关 键 词：鹅不食草 鼻咽癌 网络药理学 分子对接 作用机制 

分 类 号：R73[医药卫生—肿瘤]