Metabolomics and network pharmacological analysis to explore the mechanism of ginseng treatment for spleen‐qi deficiency

人参 代谢组学 中医药 脾脏 药理学 代谢途径 化学 医学 生物信息学 生物化学 生物 新陈代谢 免疫学 病理 替代医学
作者
Ming Liu,Yongyu Cai,Fangtong Li,Yongxi Wu,Meiyu Zhang,Yizhu Wang,Meiling Fan,Bo Li,Xin Hong Huang,Fei Yan Zheng,Hao Yue
出处
期刊:Journal of Separation Science [Wiley]
卷期号:45 (24): 4427-4438 被引量:11
标识
DOI:10.1002/jssc.202200457
摘要

Ginseng is the main Chinese herbal medicine for tonifying Qi and invigorating the spleen. It has been used to treat spleen-qi deficiency with good protective effects for thousands of years, however, its biological mechanism has not been fully elucidated. This study aims to explore the mechanism of ginseng in the treatment of spleen-qi deficiency by using a comprehensive method combining metabolomics and network pharmacological analysis. Gas chromatography-mass spectroscopy was applied for investigating the changes in urine metabolites in spleen-qi deficiency rats and after treatment with ginseng. Metabolomics and network pharmacology analysis were applied to screen potential biomarkers and therapeutic targets of ginseng in the treatment of spleen-qi deficiency, respectively. Molecular docking was employed to further evaluate the docking mode of potential biomarkers and therapeutic target proteins. The results of metabolomics showed that the therapeutic effects of ginseng are mainly related to its regulation of three metabolic pathways. The molecular structure of potential biomarkers and common proteins was further analyzed by molecular docking to verify its effectiveness. Ginseng has good pharmacological effects by controlling key targets of related metabolic pathways, signal pathways, and potential biomarkers.
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