摘要
运用网络药理学和分子对接的方法,探究“北沙参-麦冬”药对治疗肺癌的相关作用机制.运用中药系统药理学数据库与分析平台(TCMSP),获得北沙参的有效活性成分及作用靶点,应用BATMAN-TCM数据库获得麦冬的有效活性成分及作用靶点,应用GeneCards及DisGeNET数据库获得肺癌相关靶点,绘制韦恩图获取药物疾病共同靶点,将其输入Cytoscape 3.9.0软件绘制“药物-成分-疾病-靶点”网络.运用STRING数据库及Cytoscape 3.9.0软件构建蛋白相互作用PPI网络.通过DAVID数据库进行基因本体(GO)、京都基因与基因组百科全书(KEGG)富集分析.运用AutoDock软件进行分子对接验证,Pymol软件进行可视化处理.“北沙参-麦冬”药对通过25个有效成分作用于137个肺癌治疗靶点.筛选出4种核心有效成分,12个核心靶点包括TP53、AKT1、MYC、ESR1、EGFR、VEGFA、CASP3、JUN、TNF、CCND1、HIF1A、IL6,GO富集分析主要涉及基因表达调控、凋亡调控、蛋白结合、转录因子结合、胞外、线粒体等,KEGG富集分析主要涉及TNF、p53、HIF-1、细胞凋亡等信号通路.4种核心有效成分与主要核心靶点TP53、MYC、EGFR、VEGFA、CASP3均具有一定的结合活性.结果可知,“北沙参-麦冬”药对治疗肺癌的机制,可能是通过多成分、多靶点、多通路,诱导肺癌细胞凋亡、抑制其增殖及侵袭转移.
The study is to explore the mechanism of“Coastal Glehnia Root-Radix Ophiopogonis”treatment of lung cancer based on network pharmacology and molecular docking.The effective ingredients and targets of Coastal Glehnia Root were screened through the pharmacological database and analysis platform of Chinese Medicine System(TCMSP).The effective ingredients and targets of Radix Ophiopogonis were inquired through the BATMAN-TCM database.Lung cancer related targets were obtained from GeneCards and DisGeNET databases.Venn diagram was drawn to obtain the common targets of drug disease,and Cytoscape 3.9.0 software was constructed to construct“drugcomponent-disease-target”network.The STRING database and Cytoscape 3.9.0 software were used to construct the protein-protein interaction network.DAVID database was used for gene ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analysis.AutoDock software was used for molecular docking verification,and Pymol software was used for visual processing.“Coastal Glehnia Root-Radix Ophiopogonis”acted on 137 lung cancer treatment targets through 25 effective ingredients.Four core effective ingredients were screened,and 12 core targets included TP53,AKT1,MYC,ESR1,EGFR,VEGFA,CASP3,JUN,TNF,CCND1,HIF1A,IL6.GO enrichment analysis mainly involved gene expression regulation,apoptosis regulation,protein binding,transcription factor binding,extracellular,mitochondrial,etc.KEGG enrichment analysis mainly involved TNF,p53,HIF-1,apoptosis and other signaling pathways.The four core active ingredients all showed certain binding activities with the main core targets TP53,MYC,EGFR,VEGFA and CASP3.The mechanism of“Coastal Glehnia Root-Radix Ophiopogonis”in the treatment of lung cancer may be through multiple components,targets and pathways,inducing apoptosis of lung cancer cells,inhibiting proliferation,inhibiting invasion and metastasis.
作者
张金华
田园
杨晓萍
张翼
ZHANG Jin-hua;TIAN Yuan;YANG Xiao-ping;ZHANG Yi(Department of Oncology,Jingmen First People's Hospital,Jingmen 448000,China;Center for Phenoomics of Traditional Chinese Medicine,Affiliated Hospital of Traditional Chinese Medicine of Southwest Medical University,Luzhou 646000,China;Internal Medicine of Traditional Chinese Medicine,Shanghai Seventh People's Hospital,Shanghai 200137,China;Internal Medicine of Traditional Chinese Medicine,Shanghai Tongren Hospital,Shanghai 200336,China)
出处
《云南民族大学学报（自然科学版）》
CAS
2023年第6期717-725,共9页
Journal of Yunnan Minzu University:Natural Sciences Edition
基金
上海市卫生健康委员会中医药科研项目(2020LP016)。
关键词
北沙参-麦冬
肺癌
网络药理学
靶点
通路
机制
Coastal Glehnia Root-Radix Ophiopogonis
lung cancer
network pharmacology
target
pathway
mechanism
