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超高效液相色谱-四极杆飞行时间质谱联用网络药理学分析青皮三种炮制品的潜在质量标志物。

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.

机构信息

College of Pharmacy, Nanjing University of Chinese Medicine, Nanjing, P. R. China.

出版信息

J Sep Sci. 2024 Jan;47(1):e2300281. doi: 10.1002/jssc.202300281. Epub 2023 Nov 23.

DOI:10.1002/jssc.202300281
PMID:37994479
Abstract

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.

摘要

青皮,一种著名的理气中药,通常加工成三种类型的饮片,几千年来在肝病的临床应用中得到了广泛应用。本研究采用超高效液相色谱-四极杆飞行时间质谱联用技术结合多元统计分析方法,评估和表征三种炮制产品的差异,确定青皮的潜在质量标志物。此外,还进行了系统分析,并结合网络药理学和分子对接技术,阐明了青皮治疗肝病的潜在机制。结果鉴定出 18 个成分,并构建了一个青皮-成分-靶点-通路-肝病的综合网络。最终筛选出 8 种化合物作为潜在的质量标志物,作用于肝病的 10 个主要靶点和通路。分子对接分析结果表明,这些质量标志物与靶点具有良好的结合活性。总之,本研究初步鉴定了青皮三种炮制产品的潜在质量标志物,并预测了其在防治肝病中的靶点,为进一步研究青皮的药效物质和作用机制提供了信息支持。

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