摘要
目的 通过网络药理学方法结合分子对接技术探讨血府逐瘀汤“异病同治”治疗冠心病和缺血性脑卒中的作用机制。方法 在TCMSP数据库检索并结合文献筛选血府逐瘀汤11味中药的活性成分和作用靶点,通过Uniprot数据库匹配靶点官方名称。从OMIM、DrugBank、DisGNET、TTD、GeneCards数据库获取冠心病和缺血性脑卒中相关疾病靶点,取交集靶点,构建“单味药—共有靶点—疾病”网络。建立蛋白间相互作用网络,利用Centiscape插件筛选关键靶点,利用MetaScape数据库进行GO功能分析和KEGG通路富集分析。通过AutoDockTools-1.5.6进行分子对接预测。结果 筛选后得到血府逐瘀汤活性成分192个,作用靶点394个;与冠心病和缺血性脑卒中相关且排序靠前的通路有脂质和动脉粥样硬化、缺氧诱导因子-1、松弛素、核因子-κB信号通路等,主要与脂质代谢、炎症反应、氧化应激、血管生成和细胞凋亡等生物学过程相关。本方中主要活性成分木犀草素、山柰酚、柚皮素与靶点蛋白蛋白激酶1、白蛋白、胰岛素结合较好。结论 基于网络药理学的方法发现血府逐瘀汤通过多靶点、多途径治疗冠心病和缺血性脑卒中,且多个成分表现出良好的活性;可能通过抗氧化、抗炎、抑制细胞凋亡、调节激素水平、促进血管生成等作用,改善局部缺血缺氧状态,发挥“异病同治”作用。
Objective To explore the mechanism of treating coronary heart disease(CHD)and ischemic stroke(IS)in Xuefu Zhuyu Decoction by network pharmacology combined with molecular docking technology.Methods The active ingredients and target of 11 herbs of Xuefu Zhuyu Decoction were searched in TCMSP database,and the official name of the target was matched through Uniprot database.CHD and IS-related disease targets were obtained from OMIM,DrugBank,DisGNET,TTD and GeneCards databases,and intersection targets were selected to construct a‘single drug—common target—disease’network.Centiscape plug-in was used to screen key targets,and MetaScape database was used for GO functional analysis and KEGG pathway enrichment analysis.Molecular docking prediction was performed by AutoDockTools-1.5.6.Results 192 active ingredients and 394 targets of Xuefu Zhuyu Decoction were obtained after screening.The pathways related to CHD and IS are lipid and atherosclerosis,HIF-1,relain and NF-κB signaling pathways,which are mainly related to biological processes such as lipid metabolism,inflammatory response,oxidative stress,angiogenesis and apoptosis.Luteolin,kaempferol and naringenin were well combined with target proteins AKT1,ALB and INS.Conclusion Based on the method of network pharmacology,Xuefu Zhuyu Decoction was found to treat coronary heart disease and ischemic stroke through multi-target and multi-pathway,and several components showed good activity.It may improve the state of ischemia and hypoxia by anti-oxidation,anti-inflammation,inhibiting apoptosis,regulating hormone level,promoting angiogenesis and so on,and play the role of‘treating different diseases together’.
作者
匡慧芳
李静
郭志华
刘祎
王明韵
张秋雁
KUANG Huifang;LI Jing;GUO Zhihua;LIU Yi;WANG Mingyun;ZHANG Qiuyan(Hunan University of Chinese Medicine,Changsha 410208,China)
出处
《环球中医药》
CAS
2024年第4期585-594,共10页
Global Traditional Chinese Medicine
基金
湖南省教育厅科学研究重点项目(21A0253)
湖南中医药大学2022年度学科建设“揭榜挂帅”项目(22JBZ005)
湖南中医药大学中药粉体与创新药物省部共建国家重点实验室培育基地开放基金项目(21PTKF1012)
湖南中医药大学2022年研究生创新项目(2022CX04)
湖南中医药大学2023年“一方”研究生创新项目拟立项项目(2023YF07)。
关键词
血府逐瘀汤
冠心病
缺血性脑卒中
异病同治
网络药理学
Xuefu Zhuyu Decoction
coronary heart disease
ischemic stroke
different diseases should be treated together
network pharmacology
