基于网络药理学探讨华蟾素对肺癌的作用机制  

To Explore the Mechanism of Action of Cinobufacini on Lung Cancer Based on Network Pharmacology

作　　者：白建萌 郑千禧 石华宁 王亚菲 张雅琪 李洪旭 范亚丹 郭雅茹 王宝琴 孙春龙 杨丽娟[3] 张红涛[4] Bai Jianmeng;Zheng Qianxi;Shi Huaning;Wang Yafei;Zhang Yaqi;Li Hongxu;Fan Yadan;Guo Yaru;Wang Baoqin;Sun Chunlong;Yang Lijuan;Zhang Hongtao(College of Biological and Environmental Engineering,Binzhou University,Binzhou 256603,China;Binzhou Key Laboratory of Chemical Drug R&D and Quality Control,Binzhou 256603,China;Binzhou Medical University Hospital,Binzhou 256603,China;Qingdao Municipal Hospital,Qingdao 266071,China)

机构地区：[1]滨州学院生物与环境工程学院,山东滨州256603 [2]滨州市化学药物研发与质量控制重点实验室,山东滨州256603 [3]滨州医学院附属医院,山东滨州256603 [4]青岛市市立医院,山东青岛266071

出　　处：《山东化工》2023年第6期79-82,共4页Shandong Chemical Industry

基　　金：国家级大学生创新训练计划项目[202110449145];山东省职业教育教学改革研究[2021154];滨州学院教学研究项目[BYJYYB202126];2022年滨州学院校企共建《天然药物化学实验》课程项目。

摘　　要：目的:通过网络药理学方法系统地探讨华蟾素抗肺癌的作用机制。方法:利用文献资料和比较毒理学基因组数据库(CTD)获取华蟾素的活性组分,再用SwissADME数据库对其有效成分进行分析后,利用UniProt数据库对其基因命名作规范化处理。从GeneCards数据库以及OMIM数据库获取肺癌基因;利用韦恩图得到华蟾素抗肺癌的潜在治疗靶点;通过STRING数据库来获得潜在治疗靶点的蛋白质相互作用,后用Cytoscape软件创建蛋白质-蛋白质相互作用(PPI)网络并确定关键作用靶点;使用Cytoscape软件创建药物-成分-靶点-疾病的网络,并筛出关键活性成分;用Metascape数据库对潜在治疗靶点作GO功能富集和KEGG通路富集,之后用Cytoscape软件创建药物-靶点-通路的网络。结果:华蟾素含有49种活性化合物,活性成分靶基因195个,肺癌靶基因共1 197个,华蟾素抗肺癌潜在治疗靶点56个。GO功能富集891个条目,KEGG通路富集分析共136个条目。结论:华蟾素通过多种活性成分、多靶点、多通路相互作用发挥抗肺癌作用。To systematically investigate the mechanism of action of cinobufacini against lung cancer through the network pharmacological approach.Methods:The active components of cinobufacini were obtained from the literature and the Comparative Toxicology Genome Database(CTD),and then the active ingredients were analyzed with the SwissADME database,and the gene nomenclature was normalized using the UniProt database.Lung cancer genes were obtained from the GeneCards database as well as OMIM database.The potential therapeutic targets of cino against lung cancer were obtained using the Venn diagram.The STRING database was used to obtain the protein interactions of potential therapeutic targets,and then Cytoscape software was used to create protein-protein interaction(PPI)networks and identify key targets of action.Cytoscape software was used to create drug-component-target-disease networks and screen for core active ingredients.The Metascape database was used for GO functional enrichment and KEGG pathway enrichment of potential therapeutic targets,followed by Cytoscape software to create drug-target-pathway networks.Results:Cino contains 49 active compounds,195 active ingredient target genes,a total of 1197 lung cancer target genes,and 56 potential therapeutic targets of cinobufacini against lung cancer.GO function enriched with 891 entries,and 136 entries for KEGG pathway enrichment.Conclusion:Cino exerted its anti-lung cancer effects through multiple active ingredients,multi-target and multi-pathway interactions.

关 键 词：华蟾素 肺癌 网络药理学 活性成分 

分 类 号：TQ460[化学工程—制药化工]