Ultra‐high‐performance liquid chromatography‐quadrupole‐time of flight‐mass spectrometry combined with network pharmacology for analysis of potential quality markers of three processed products of Qingpi

四极飞行时间 代谢组学 计算生物学 质谱法 飞行时间质谱 设计质量 色谱法 化学 药理学 医学 生物 串联质谱法 离子 有机化学 电离 物理化学 粒径
作者
Qian Zhang,Rui-Jie Xu,Rong Xue,Xi Mei,Yuwen Qin,Ke Shi,Jinguo Xu,Lianlin Su,Chunqin Mao,Huiqi Xie,Tulin Lu
出处
期刊:Journal of Separation Science [Wiley]
卷期号:47 (1) 被引量:2
标识
DOI:10.1002/jssc.202300281
摘要

Qingpi, a well‐known traditional Chinese medicine for qi‐regulating and commonly processed into three types of pieces, has been widely used in the clinical application of liver disease for thousands of years. In this study, an ultra‐high‐performance liquid chromatography‐quadrupole‐time of flight‐mass spectrometry approach along with multivariate statistical analysis was developed to assess and characterize the differentiations of three processed products and confirm the potential quality markers of Qingpi. In addition, a systematic analysis combined with network pharmacology and molecular docking was performed to clarify the potential mechanism of Qingpi for the treatment of liver disease. As a result, 18 components were identified and an integrated network of Qingpi‐Components‐Target‐Pathway‐Liver Disease was constructed. Eight compounds were finally screened out as the potential quality markers acting on ten main targets and pathways of liver disease. Molecular docking analysis results indicated that the quality markers had a good binding activity with the targets. Overall, this work preliminarily identified the potential quality markers of three processed products of Qingpi, and predicted its targets in the prevention and treatment of liver disease, which can provide supporting information for further study of the pharmacodynamic substances and mechanisms of Qingpi.
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