摘要
目的 利用网络药理学和分子对接技术探讨木香治疗胃癌的作用机制.方法 利用中药系统药理学数据库分析平台筛选木香活性成分和核心靶点,构建蛋白质相互作用网络分析木香治疗胃癌时蛋白质之间的相互作用,采用基因本体论(GO)富集分析和京东基因与基因组百科全书(KEGG)通路分析验证木香活性成分与关键靶点之间的相互作用活性,并采用分子对接实验进行验证.结果 经过筛选,获得5个木香活性成分[白桦脂酸(Mairin)、β-谷甾醇、豆甾醇、Benzo(a)carbazole、菜蓟苦素]和5个核心靶点[前列腺素内过氧化物合成酶(PTGS)2、PTGS1、单胺氧化酶(MAO)A、MAOB、SLC6A3],通过富集分析共筛选出624个GO条目和 85 条 KEGG 信号通路,其中 Benzo(a)carbazole 与 PTGS2、PTGS1、MAOA、MAOB 结合能力比较强,Mair-in与SLC6A3结合能力比较强.结论 木香主要通过多成分共同对胃癌进行干预,其可能是通过干预核心靶蛋白发挥关键作用.
Abstract
Objective To explore the mechanism of aucklandia lappa in the treatment of gastric cancer using network pharmacology and molecular docking technology.Methods The pharmacologic database analy-sis platform of traditional Chinese medicine system was used to screen the active components and core targets of aucklandia lappa,and the protein interaction network was constructed to analyze the interaction between proteins of aucklandia lappa in the treatment of gastric cancer.Gene ontology(GO)enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway analysis were used to verify the interaction ac-tivities between active components and key targets,and molecular docking experiments were used to verify the interaction activities.Results After screening,Five active components[Mairin,β-sitosterol,stigasterol,Benzo(a)carbazole,thistrosinin]and five core targets[prostaglandin-endoperoxide synthase(PTGS)2,PTGS1,monoamine oxidase(MAO)A,MAOB,SLC6A3]were determined.A total of 624 GO entries and 85 KEGG signaling pathways were screened through enrichment.Among them,Benzo(a)carbazole had a strong binding capacity with PTGS2,PTGS1,MAOA,and MAOB,and Mairin had a strong binding capacity with SLC6A3.Conclusion Aucklandia lappa mainly interferes with gastric cancer through multiple components,which may play a key role by interfering with core target proteins.
基金项目
云南省教育厅科研项目(2022J1215)
丽江文化旅游学院校级重点学科建设项目(2021xk04)
维普
万方数据