摘要
目的基于气相色谱-质谱联用(GC-MS)技术对扎冲十三方剂中8味植物药挥发油的主要化学成分进行分析,并运用网络药理学方法探究其成分对缺血性脑卒中可能作用机制。方法利用GC-MS技术分析挥发油后,借助多个数据库预测分析化学成分作用靶点和疾病靶点,构建“化学成分-作用靶点”网络并由共同靶点得到蛋白质-蛋白质相互作用关系,将其可视化,根据筛选到的关键作用靶点完成基因本体(GO)功能和京都基因与基因组百科全书(KEGG)通路富集分析;在Discovery Studio软件上实施关键靶点与活性成分的分子对接验证。结果GC-MS确认出44个化合物,占总含量的94.14%,含量最高的为丁香酚;检索出扎冲十三挥发油关于缺血性脑卒中的42个活性成分,159个潜在作用靶点;得到369个GO功能条目,126个KEGG信号通路条目,涉及癌症通路、脂质和动脉粥样硬化等。分子对接数据显示丁香酚等活性成分与缺氧诱导因子1α、基质金属蛋白酶9、信号转导与转录激活因子3等关键靶点具备较强的结合性能。结论该实验探究了扎冲十三挥发油通过多成分、多靶点、多途径协同用于治疗缺血性脑卒中的可能作用机制,为进一步研究扎冲十三挥发油对缺血性脑卒中的作用提供一定参考。
Objective To analyse the main chemical components of the volatile oil of 8 plant medicines in Zhachong-thirteen prescription based on GC-MS and the method of network pharmacology,and to explore the possible mechanism of its components on ischemic stroke.Methods After the volatile oil was analyzed by GC-MS technology,the chemical composition action target and disease target were predicted with the help of several databases.A"chemical component-target"network was conducted and the protein-protein interaction relationship which was obtained by the commen targets was visualized.The gene ontology(GO)function and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis were further completed according to the selected key targets.The molecular docking verification of key targets and active components was carried out on DiscoveryStudio so?tware.Results GC-MS identified 44 compounds,which accounted for 94.14%of the total content,and the highest content was eugenol.42 active components and 159 potential targets about ischemic stroke were screened.369 GO functional items and 126 KEGG signal pathway entries were obtained,which were related to cancer pathway,lipid and atherosclerosis.Molecular docking data showed that eugenol and other active components had strong binding properties to key targets such as hypoxia inducible factor 1α,matrix metalloproteinase 9 and signal transducer and activator of transcription 3.Conclusion The experimental explore the possible mechanism of Zhachong-thirteen volatile oil in the treatment of ischemic stroke through multi-components,multi-targets and multi-pathways,which provides a certain reference for the further study of the effect of Zhachong-thirteen volatile oil on ischemic stroke.
作者
杨胜男
顾艳丽
郭慧青
祖文
周雪梅
杨彩静
吉日木巴图
Sheng-Nan YANG;Yan-Li GU;Hui-Qing GUO;Wen ZU;Xue-Mei ZHOU;Cai-Jing YANG;Ba-Tu JIRIMU(School of Pharmacy,Inner Mongolia Medical University,Hohhot 010110,China;Inner Mongolia Autonomous Region Institute of Drug Inspection,Hohhot 010110,China;Xing'an League People's Hospital,Hinggan League 137400,Inner Mongolia Autonomous Region,China;Ethnic Medicine Innovation Center,Inner Mongolia Medical University,Hohhot 010110,China)
出处
《药物流行病学杂志》
CAS
2023年第3期280-293,共14页
Chinese Journal of Pharmacoepidemiology
基金
内蒙古自治区自然科学基金项目(2019LH08011)
内蒙古自治区科技计划项目(2020GG0122)
内蒙古自治区科技创新引导项目。
