摘要
目的采用网络药理学与分子对接技术探讨清瘟败毒饮治疗川崎病的作用机制。方法采用中药系统药理学数据库与分析平台(TCMSP)及HERB数据库获取清瘟败毒饮的主要成分,并预测药物作用靶点;采用GeneCards、DisGeNET、DrugBank数据库查找川崎病靶点,获得药物与疾病交集靶点,并绘制蛋白质-蛋白质相互作用(PPI)网络;采用Cytoscape3.7.2软件对数据进行可视化分析处理,并将PPI top5的基因与活性成分进行分子对接。结果共获得357个清瘟败毒饮活性成分,275个药物靶点,1127个川崎病靶点,132个交集靶点。丝氨酸/苏氨酸蛋白激酶1(AKT1)、V-JUN肉瘤病毒17癌基因同源物(JUN)、白细胞介素-1B(interleukin-1B,IL-1B)、白细胞介素-6(IL-6)、肿瘤蛋白53(TP53)基因为清瘟败毒饮对川崎病交集靶点PPI网络中的核心基因,并可与槲皮素成功对接。结论清瘟败毒饮对川崎病具有明显的治疗作用,其作用机制与AKT1、JUN、IL-1B、IL-6、TP53密切相关。
Objective To discussion the mechanism of Qingwen Baidu decoction in the treatment of Kawasaki disease by network pharmacology and molecular docking technology.Methods The main components of Qingwen Baidu decoction were obtained by traditional Chinese medicine systems pharmacology database and analysis platform(TCMSP)and HERB database,and the drug targets were predicted;GeneCards,DisGeNET and DrugBank databases were used to find the targets of Kawasaki disease,the intersection targets of drugs and diseases were obtained,and the protein-protein interaction(PPI)network was drawn;Cytoscape3.7.2 software was used to visualize the data,and the genes of PPI top5 were molecularly docked with the active components.Results A total of 357 active components of Qingwen Baidu decoction,275 drug targets,1127 Kawasaki disease targets,and 132 intersection targets were obtained.The serine-threonine kinase 1(AKT1),V-JUN sarcoma virus 17 oncogene homolog(JUN),interleukin-1B(IL-1B),interleukin-6(IL-6)and tumor protein 53(TP53)genes were the core genes in the PPI network of the intersection targets of Qingwen Baidu decoction on Kawasaki disease,and can be successfully docked with quercetin.Conclusion Qingwen Baidu decoction has obvious therapeutic effect on Kawasaki disease,which is closely related to AKT1,JUN,IL-1B,IL-6 and TP53.
作者
陈露萍
杨轶童
赵苗苗
孙媛
任龙龙
石曌玲
CHEN Luping;YANG Yitong;ZHAO Miaomiao;SUN Yuan;REN Longlong;SHI Zhaoling(Shaanxi University of Chinese Medicine,Xianyang 712046;the Second Affiliated Hospital of Shaanxi University of Chinese Medicine,Xianyang 712044,China)
出处
《临床医学研究与实践》
2023年第22期1-5,10,共6页
Clinical Research and Practice
基金
陕西省卫生健康科研基金项目(No.2022D056)
陕西中医药大学校级科研课题(No.2021GP31)。
关键词
网络药理学
分子对接
川崎病
清瘟败毒饮
network pharmacology
molecular docking
Kawasaki disease
Qingwen Baidu decoction
