关键词:
鹅不食草
鼻咽癌
网络药理学
分子对接
作用机制
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.