摘要
目的基于网络药理学和分子对接探讨补中益气汤治疗慢性疲劳综合征(chronic fatigue syndrome,CFS)的作用机制。方法研究通过TCMSP等数据库及文献检索补中益气汤中组方药材的活性成分及靶点,利用GeneCards、OMIM和PharmGkb等数据库获取CFS疾病靶点,应用R语言筛选出补中益气汤治疗CFS的主要靶点;采用Cytoscape软件构建补中益气汤-慢性疲劳综合征靶点调控网络,结合STRING数据库绘制蛋白相互作用网络,并利用R语言对预测的补中益气汤作用靶点进行GO生物功能分析以及KEGG通路富集;选取关键作用靶点与活性成分进行分子对接;进一步探讨补中益气汤治疗CFS的潜在作用机制。结果经过OB、DL初步筛选,获得补中益气汤中活性成分135个和药物疾病交集基因209个,其中HSP90AA1、AKT1、JUN等靶点可能与CFS密切相关,补中益气汤治疗CFS主要涉及脂质和动脉粥样硬化、化学致癌-受体激活、PI3K/Akt信号通路、化学致癌-活性氧等。结论补中益气汤可能通过多成分、多靶点及多种通路治疗CFS,其中通过PI3K/Akt信号通路影响炎症反应、神经内分泌调节和氧化应激是CFS的重要机制。
Objective To explore the mechanism of Buzhong Yiqi Decoction(补中益气汤)in treating chronic fatigue syndrome(CFS)based on network pharmacology and molecular docking.Methods In this study,the active components and targets of the herbs in Buzhong Yiqi Decoction were searched in TCMSP and other databases,and the disease targets of CFS were obtained by GeneCards,OMIM and PharmGkb databases.The main targets of Buzhong Yiqi Decoction in the treatment of CFS were screened by R language.Cytoscape software was used to construct the target regulatory network of Buzhong Yiqi Decoction-chronic fatigue syndrome,and the protein interaction network was drawn by STRING database.The GO biological function analysis and KEGG pathway enrichment of the predicted targets of Buzhong Yiqi Decoction were carried out by R language.Select key targets and active ingredients for molecular docking;to further explore the potential mechanism of Buzhong Yiqi Decoction in treating CFS.Results After preliminary screening of OB and DL,135 active components and 209 drug disease intersection genes in Buzhong Yiqi Decoction were obtained.Among them,HSP90AA1,AKT1,JUN and other targets may be closely related to CFS.Buzhong Yiqi Decoction in the treatment of CFS mainly involves lipid and atherosclerosis,chemical carcinogen-receptor activation,PI3K/Akt signaling pathway,chemical carcinogen-reactive oxygen species so on.Conclusion Buzhong Yiqi Decoction may treat CFS through multiple components,multiple targets and multiple pathways,among which PI3K/Akt signaling pathway affects inflammatory response,neuroendocrine regulation and oxidative stress is an important mechanism of CFS.
作者
刘成
扶姣梅
方杨
吴宝珍
张道平
贺泽龙
LIU Cheng;FU Jiaomei;FANG Yang;WU Baozhen;ZHANG Daoping;HE Zelong(Hunan University of Chinese Medicine,Changsha 410208,Hunan,China;First Affiliated Hospital of Hunan University of Chinese Medicine,Changsha 410007,Hunan,China;Hunan University of Science and Technology,Xiangtan 411201,Hunan,China)
出处
《实用中医内科杂志》
2023年第7期54-58,I0008-I0012,共10页
Journal of Practical Traditional Chinese Internal Medicine
基金
湖南省中医学“双一流”学科建设项目(湘教通[2018]469号)。
关键词
网络药理学
分子对接
补中益气汤
慢性疲劳综合征
network pharmacology
molecular docking
Buzhong Yiqi Decoction(补中益气汤)
chronic fatigue syndrome
