基于GC-MS技术和网络药理学方法探讨那如-3味丸治疗类风湿性关节炎的作用机制  

Based on GC-MS technology and network pharmacology,the mechanism of action of Naru-3 Pill in the treatment of rheumatoid arthritis was investigated

作　　者：额尼日勒 廖翠平 高雅 图雅[3] Eni Rile;Liao Cuiping;Gao Ya;Tu Ya(College of pharmacy,Inner Mongolia Minzu University,Tongliao 028000,China;Experimental research center,China Academy of Chinese Medical Sciences,Beijing 100700,China;The development of Chinese medicine research center,China Academy of Chinese Medical Sciences,Beijing 100700,China)

机构地区：[1]内蒙古民族大学蒙医药学院,内蒙古通辽028000 [2]中国中医科学院医学实验中心,北京100700 [3]中国中医科学院中医药发展研究中心,北京100700

出　　处：《北方药学》2023年第7期8-15,共8页Journal of North Pharmacy

基　　金：国家自然基金面上项目,基于草乌减毒效应的诃子化学成分及缓和药性特征的相关研究(81274192);中国中医科学院科技创新工程项目,基于药/毒代动力学-多组学结合研究诃子汤炮制草乌“减毒存效”机制与“时-量-效/毒”关系(C12021A04209)。

摘　　要：目的:利用气相色谱法–质谱法联用(GC-MS)技术和网络药理学探索蒙药那如-3味丸中挥发油类治疗类风湿性关节炎的活性成分及其作用机制。方法:采用GC-MS技术对蒙药那如-3味丸挥发油类化学成分进行检测;在Swiss Target Prediction平台获取成分靶点,并在Genecard和DisGenet数据库中获取疾病靶点,构建韦恩图,得到那如-3味丸治疗的潜在作用靶点;构建成分-靶点网络模型和蛋白-蛋白互作网络模型;并进行基因本体(GO)功能和京都基因与基因组百科全书(KEGG)功能富集分析;并利用Discovery Studio软件对核心靶点及其相对应成分进行分子对接。结果:从GC-MS中鉴定出那如-3味丸挥发油中56个挥发性成分,通过网络药理学筛选出10个关键活性成分、10个关键靶点以及9条关键信号通路,并预测那如-3味丸治疗类风湿性关节炎可能与PI3K-Akt信号通路、MAPK信号通路和Ras信号通路有关。分子对接结果表明多个挥发性成分均能与人类酪氨酸激酶蛋白结合,且结合性较强。结论:证实了蒙药那如-3味丸是可以通过多成分、多靶点、多通路对血脂进行调节,该研究为那如3味丸治疗类风湿性关节炎的深入研究提供了参考和指导。Objective:Using GC-MS technology and network pharmacology to explore the active components of volatile oil in Naru-3pills and Its mechanism of treatment of rheumatoid arthritis.Methods:The chemical constituents of the volatile oil of Naru-3pills were detected by GC-MS.Data of components targets were obtained in Swiss Target Prediction platform,and disease targets for rheumatoid arthritis were obtained by GeneCards and DisGenet database.The Wayne diagram was constructed to obtain potential therapeutic targets of Naru-3pills.The component-target network and protein-protein interaction network were conducted and conducting further analysis using GO function annotation and enrichment analysis of KEGG pathway,The Discovery Studio software was used to dock the core targets and their corresponding components.Results:56 components in the volatile oil of Naru-3 pills were identified from GC-MS,10 active components,10 key targets and 9 signal pathways were screened by network pharmacology.It is predicted that the rheumatoid arthritis effect of Naru-3 pills may be related to PI3K-Akt signaling pathway,MAPK signaling pathway and Ras signaling pathway.The results of molecular docking showed that many components could bind to Tyrosine-protein kinase Iak1.Conclusion:It is confirmed that the volatile oil of Naru-3 pills can regulate blood lipid through multi-components,multi-targets and multi-pathways.This study provides reference and guidance for the further study of Naru-3 pills inreatment of rheumatoid arthritis.

关 键 词：那如-3味丸 GC-MS 网络药理学 类风湿性关节炎 分子对接 

分 类 号：R961[医药卫生—药理学] R593.22[医药卫生—药学]