葛根散治疗结肠癌网络药理学研究  

Network Pharmacology Prediction of Gegen Powder in Treating Colon Cancer

作　　者：聂新 唐东昕 Nie Xin;Tang Dongxin(Guizhou University of Traditional Chinese Medicine,Guiyang 550002,China;The First Hospital Affiliated to Guizhou University of Traditional Chinese Medicine,Guiyang 550001,China)

机构地区：[1]贵州中医药大学,贵州贵阳550002 [2]贵州中医药大学第一附属医院,贵州贵阳550001

出　　处：《亚太传统医药》2022年第7期165-174,共10页Asia-Pacific Traditional Medicine

基　　金：贵州省中医肿瘤传承与科技创新人才团队建设项目(黔科合平台人才[2020]5013);贵州省中医肿瘤传承与科技创新人才基地建设(黔人领发[2018]3号);贵州省高层次创新型人才培养计划(百层次)(黔科合人才(2016)4032号)。

摘　　要：目的:应用网络药理学方法预测葛根散治疗结肠癌的核心成分、靶点及通路并探讨其潜在作用机制。方法:运行TCMSP数据库检索葛根散组方活性成分及对应靶点,查阅文献并检索Swiss Target Prediction数据库分别对成分及靶点信息进行增补,应用GeneCards数据库搜索结肠癌相关靶点,运用Venn在线平台绘制韦恩图并获取葛根散与结肠癌的交集靶点,应用String数据库平台分析交集靶点的蛋白互作网络信息,应用Cytoscape 3.7.1软件完成信息可视化及拓扑分析,应用Metascape平台进行GO分析及KEGG富集分析,最后运用Autodock Vina软件完成分子对接。结果:共获得葛根散活性成分190种,葛根散-结肠癌交集靶点227个,核心靶点43个,核心靶点共涉及1 637条GO分析条目及140条KEGG信号通路。预测出葛根散治疗结肠癌的关键活性成分可能为槲皮素、金雀异黄素、葛根素、山柰酚及大豆苷元,过程主要涉及TP53、AKT1、IL-6、INS、MAPK1、MAPK8等靶点,并通过介导癌症相关通路、FoxO信号通路、TNF信号通路等多类别通路来发挥治疗结肠癌的作用。分子对接结果提示槲皮素、金雀异黄素及葛根素与TP53、AKT1、IL-6、INS及MAPK1均有较好的结合活性。结论:推测葛根散治疗结肠癌是基于药物与疾病之间的“多成分-多靶点-多通路”协同互作网络来实现的,研究成果可为后续的药理及临床应用提供理论参考。Objective:To explore the potential mechanism of Gegen powder in treating colon cancer by using network pharmacology.Methods:The bioactive constituents and corresponding targets of Gegen powder were screened out by retrieving TCMSP,Swiss Target Prediction database and published literatures,the GeneCards database was used to consult the related targets of colon cancer.Venn online platform was used to draw the Venn diagram and the String database was used to establish the protein-protein interaction(PPI)network of intersecting targets of Gegen powder and colon cancer,then importing the result of PPI into Cytoscape software for topological analysis to screen out the potential core targets of Gegen powder in treating colon cancer.Enrichment analysis of GO and KEGG pathway were carried out by using Metascape platform and Autodock Vina sofeware was used for molecular docking.Results:A total of190bioactive components,227intersecting targets,and 43core targets were screened out,1637items of GO enrichment analysis and 140KEGG signaling pathways were involved.Quercetin,genistein,puerarin,kaempferol and daidzein may be the main bioactive components of Gegen powder in treating colon cancer,which involving Tumor protein p53(TP53),Protein kinase B alpha(AKT1),Interleukin-6(IL-6),Insulin(INS),Mitogen-activated protein kinase 1(MAPK1)and others,and play a role by regulating Pathways in cancer,FoxO signaling pathway,TNF signaling pathway and so on.The results of molecular docking indicated that Quercetin,Genistein and Puerarin had good binding activity with core targets.Conclusion:It is speculated that Gegen powder plays a role in treating colon cancer is based on the collaborative interaction network of“multi components-multi targets-multi pathways”between herbs and diseases,which provides a theoretical reference for the follow-up pharmacological and clinical research.

关 键 词：葛根散 结肠癌 网络药理学 作用机制 

分 类 号：R256.3[医药卫生—中医内科学]