摘要
目的:探究散偏汤治疗偏头痛的潜在药效物质基础和作用机制。方法:根据超高效液相色谱串联四极杆静电场轨道阱质谱二级碎片裂解信息结合文献,对散偏汤化学成分进行鉴定。通过ADME值筛选活性成分;运用Swiss Target Prediction数据库预测活性成分靶点;通过OMIM、GeneCards、TTD数据库筛选疾病靶点;采用STRING数据库和Cytoscape软件构建PPI网络,并筛选核心靶点;采用Metascape进行生物富集分析;通过AutoDock Tools软件进行分子对接验证;最后构建硝酸甘油致偏头痛模型,验证散偏汤通过TNF通路治疗偏头痛。结果:从散偏汤中共鉴定出35个化学成分。网络药理学预测散偏汤主要通过TNF、IL-17、cGMP-PKG等信号通路治疗偏头痛;并发现柚皮素、木犀草素、藁本内酯等是治疗偏头痛的主要核心成分。散偏汤可抑制偏头痛大鼠血清中TNF-α、MMP3、MMP9、NF-κB1、NF-κB α的升高。结论:散偏汤通过多成分、多靶点、多通路改善偏头痛,为该方剂的临床应用、制剂研发和药效研究奠定科学基础。
OBJECTIVE To explore the potential pharmacodynamic material basis and mechanism of Sanpian Decoction(SPD)in the treatment of migraine.METHODS According to the secondary fragment information of UPLC-Q-Exactive Orbitrap/MS,combined with literature,the chemical ingredients of SPD were identified.Screening of active ingredients by ADME value based on identified chemical ingredients.Active ingredient targets were predicted through Swiss Target Prediction.The"migraine"was selected as key words to screen disease targets with OMIM,GeneCards and TTD databases.STRING database and Cytoscape software to build a PPI network and uncover the core targets.which were subjected to enrichment analysis based on Metascape.Molecular docking verification through AutoDock Tools.Finally,we constructed migraine model induced by nitroglycerin to verify that SPD treated migraine through TNF pathway.RESULTS A total of 35 ingredients were identified in SPD.Network pharmacology predicted that SPD treated migraine by TNF,IL-17,cGMP-PKG and other signaling pathways.And,it was found that naringenin,luteolin and ligustilide were the main potential core ingredients of SPD in the treatment of migraine.SPD inhibited the raise of TNF-α,MMP3,MMP9,NF-κB1 and NF-κBαin serum of migraine rats.CONCLUSION SPD improves migraine through multiple components,targets,and pathways,and lays a scientific foundation for the clinical application,preparation research and development and pharmacodynamic research of the prescription.
作者
李敏敏
马川
杜克群
江华娟
涂禾
何瑶
LI Minmin;MA Chuan;DU Kequn;JIANG Huajuan;TU He;HE Yao(College of Pharmacy,Chengdu University of Traditional Chinese Medicine,Key Laboratory of Traditional Chinese Medicine Standardization of the Ministry of Education,Sichuan Chengdu 611137,China;Sichuan Orthopedic Hospital,Sichuan Chengdu 610041,China)
出处
《中国医院药学杂志》
CAS
北大核心
2023年第12期1326-1333,1371,共9页
Chinese Journal of Hospital Pharmacy
基金
四川省科技计划项目(编号:2020YFS0567)。
作者简介
李敏敏,女,在读硕士,研究方向:新制剂、新剂型、新技术研究;通讯作者: 涂禾,男,学士,制剂室主任,教授,研究方向:中药制剂新技术、新剂型和炮制研究;通讯作者: 何瑶,女,博士,副教授,研究方向:新制剂、新剂型、新技术研究。
