UPLC-Q-TOF-MS技术联合网络药理学探讨补肾活血颗粒治疗帕金森病的质量标志物  

UPLC-Q-TOF-MS combined with network pharmacology to explore the quality markers of Bushen Huoxue Granule in treatment of PD

作　　者：栾振先 汤响林 郝斐然 李敏[1] 李绍旦[1] 杨明会[1] Luan Zhenxian;Tang Xianglin;Hao Feiran;Li Min;Li Shaodan;Yang Minghui(Department of Traditional Chinese Medicine,Sixth Medical Center of Chinese PLA General Hospital,Beijing 100048,China)

机构地区：[1]解放军总医院第六医学中心中医医学部,北京100048 [2]解放军医学院 [3]解放军总医院第六医学中心军事医学研究院,北京100048

出　　处：《中华老年心脑血管病杂志》2023年第5期508-513,共6页Chinese Journal of Geriatric Heart,Brain and Vessel Diseases

基　　金：国家自然科学基金(82130117);中医药传承与创新“百千万”人才工程(岐黄工程)岐黄学者[国中医药人教发(2018)12号]。

摘　　要：目的探讨补肾活血颗粒治疗帕金森病的作用机制和质量标志物。方法通过UPLC-Q-TOF-MS技术联合UNIFI数据库分析补肾活血颗粒主要化学成分。通过网络药理学方法挖掘补肾活血颗粒治疗帕金森病的核心靶点和分子通路。将核心靶点与相关成分进行分子对接验证,结合文献将补肾活血颗粒治疗帕金森病的关键成分确定为质量标志物。结果补肾活血颗粒中共鉴定出37个主要化学成分,预测获得246个靶点。检索GeneCards数据库获得帕金森病靶点。二者取交集获得62个交集基因。基因富集分析结果显示,补肾活血颗粒作用靶点主要涉及调节神经递质水平、多巴胺能突触传递和神经递质受体活性,调控白细胞介素17和细胞凋亡等信号通路发挥帕金森病治疗作用。蛋白-蛋白相互作用网络经筛选得到8个核心基因,分别是淀粉样蛋白βA4、前列腺素G/H合酶2、热休克蛋白90α等。分子对接结果显示,相关成分与核心靶点具有较好的亲和力。结合文献将毛蕊花糖苷、知母皂苷BⅡ、洋川芎内酯Ⅰ、丹酚酸B、黄花远志素A等13个成分作为补肾活血颗粒治疗帕金森病的质量标志物。结论补肾活血颗粒通过多成分、多靶点、多途径治疗帕金森病,为深入阐明补肾活血颗粒的药效基础、作用机制及其临床应用提供参考。Objective To investigate the mechanism and potential quality markers of Bushen Huoxue Granule in the treatment of Parkinsons disease(PD).Methods The main chemical components of Bushen Huoxue Granule were analyzed by UPLC-Q-TOF-MS technology and UNIFI database.Network pharmacology was used to get the core targets and pathways of the granule.The core target and related components were verified by molecular docking,and the key components of the granule in PD treatment were identified as quality markers in combination with the literature.Results A total of 37 main chemical components were identified in the granule,of which active components were predicted to act on 246 targets.The targets of PD were obtained by searching the GeneCards database.Sixty-two intersection genes were obtained from the intersection of the above two results.Gene enrichment analysis showed that the targets of Bushen Huoxue Granule played therapeutic effect on PD by regulating neurotransmitter levels,affecting the activity of dopaminergic synaptic transmission and neurotransmitter receptor,and regulating the signal pathways of IL-17 and cell apoptosis.Eight core genes were screened from the proteinprotein interaction network,namely APP,PTGS2,HSP90AA1,etc.Molecular docking results indicated that the related components had a good affinity with the core target.In combination with the literature,a total of 13 components,including piloside,anemarrhena saponin BⅡ,kaempholideⅠ,salvianolic acid B,polygala flavescens A,were obtained as the quality markers of Bushen Huoxue Granule in the treatment of PD.Conclusion Bushen Huoxue Granule can treat PD through multiple components,multiple targets and multiple ways.Our results provide a reference for further elucidating the pharmacodynamic basis,mechanism of action and clinical application of Bushen Huoxue Granule.

关 键 词：帕金森病 网络药理学 补肾活血颗粒 指纹图谱 

分 类 号：R285[医药卫生—中药学]