摘要
目的通过网络药理学方法和分子对接技术探究调压方治疗原发性高血压的作用机制。方法利用TCMSP、TCM中药数据库及文献获取中药成分;Super-PRED分析药物活性成分的靶点;通过GeneCards、NCBI、OMIM、PharmGKB疾病数据库检索获取原发性高血压的疾病靶点;选择药物—疾病交集靶点通过Cytoscape软件分析获取药物核心作用靶点和核心成分;利用DAVID数据库完成核心靶点的GO和KEGG富集分析;通过CB-Dock2在线分子对接调压方核心成分与核心靶点。结果筛选获取得到调压方药物活性成分284个;调压方活性成分靶点311个;原发性高血压疾病靶点1550个;药物—疾病交集靶点107个;核心作用靶点NFKB1、KDR、STAT3、TP53、PTGS2、TLR4等19个;GO富集分析显示,调压方通过多种生物学过程参与抗原发性高血压;KEGG富集分析显示,调压方通过癌症蛋白聚糖、脂质和动脉粥样硬化等途径调控原发性高血压;分子对接结果显示,调压方核心成分与核心靶点之间有较好的结合活性。结论调压方可通过“多成分—多靶点-多途径”方式作用于NFKB1、KDR、STAT3、CXCR4、TLR4、SRC等靶点参与脂质与动脉粥样硬化信号通路、MAPK信号通路、PI3K-AKT信号通路等途径发挥治疗原发性高血压作用。
Objective To explore the mechanism of Tiaoya Recipe against essential hypertension by network pharmacology and molecular docking technology.Methods TCMSP,TCM Chinese medicine database and literature were used to obtain Chinese Medicine components.Super-PRED was used to analyze the targets of drug active components.The disease targets of essential hypertension were obtained by searching GeneCards,NCBI,OMIM and PharmGKB disease databases.The drug-disease intersection targets were selected to obtain the core drug targets and core components by Cytoscape software analysis.The DAVID database was used to complete the GO and KEGG enrichment analysis of core targets.Finally,CB-Dock2 online molecular docking was used to adjust the core components and core targets.Results A total of 284 active components of Tiaoya Recipe were obtained by screening;311 targets of active components of Tiaoya Recipe;1550 targets of essential hypertension;107 drug-disease intersection targets;there were 19 core targets such as NFKB1,KDR,STAT3,TP53,PTGS2,TLR4,etc.GO enrichment analysis showed that Tiaoya Recipe was involved in anti-essential hypertension through a variety of biological processes.KEGG enrichment analysis showed that Tiaoya Recipe regulated essential hypertension through cancer proteoglycans,lipids and atherosclerosis.The results of molecular docking showed that there was a good binding activity between the core components of Tiaoya Recipe and the core target.Conclusion Tiaoya Recipe can act on the targets of NFKB1,KDR,STAT3,CXCR4,TLR4 and SRC and other targets in the way of“multi-component multi target multi pathway”to participate in lipid and atherosclerosis signaling pathway,MAPK signaling pathway,PI3K-AKT signaling pathway et.al.to play a role in the treatment of essential hypertension.
作者
张骞
李秀育
田佰福
唐震
ZHANG Qian;LI Xiuyu;TIAN Baifu;TANG Zhen(Yinchuan Hospital of Traditional Chinese Medicine,Yinchuan 750001,China)
出处
《宁夏医科大学学报》
2024年第11期1173-1179,共7页
Journal of Ningxia Medical University
基金
宁夏青年拔尖人才培养项目(2020073)
宁夏自然科学基金项目(2023AAC03876)。
关键词
调压方
原发性高血压
网络药理学
分子对接
作用机制
Tiaoya Recipe
essential hypertension
network pharmacology
molecular docking
mechanism
