基于UHPLC-Q-TOF-MS和生物信息分析探讨鳖血柴胡炮制理论的科学内涵

目的 基于UHPLC-Q-TOF-MS分析鳖血柴胡炮制前后药效物质的变化,结合生物信息分析阐释鳖血柴胡炮制理论的科学内涵。方法 采用UHPLC-Q-TOF-MS技术和多元变量模式识别分析方法对鳖血柴胡炮制前后化学成分的变化进行定性定量分析,通过PubChem、STITCH、SwissTargetPrediction、SEA、Metascape和SymMap数据库对鳖血柴胡炮制前后的

Discussion on Scientific Connotation of Processing Theory of Bupleuri Radix Processed with Trionyx Blood Based on UHPLC-Q-TOF-MS and Bioinformatic Analysis

OBJECTIVE To analyze the changes of pharmacodynamic substances of Bupleuri Radix processed with Trionyx blood before and after processing based on UHPLC-Q-TOF-MS and bioinformatics, and explain its scientific connotation. METHODS UHPLC-Q-TOF-MS technology and multivariate pattern recognition analysis method were used to analyze the changes of chemical components of Bupleuri Radix processed with Trionyx blood before and after processing for qualitatively and quantitatively, and the correlation of "difference components-targets-efficacy-TCM syndromes" of Bupleuri Radix processed with Trionyx blood before and after processing were analyzed by PubChem, STITCH, SwissTargetPrediction, SEA, Metascape and SymMap database. RESULTS There were obvious changes in 37 components of Bupleuri Radix processed with Trionyx blood before and after processing, such as (+)-pinoresinol, kaerophyllin, guanosine, icariside F2, saikosaponin BK1, saikosaponin D, isoalantolactone and so on. Bioinformatics analysis showed that the targets of components with differences enrich in liver and immune-related tissues and cells, and its efficacy was related to biological processes such as signaling by G protein-coupled receptor signal transduction pathway, protein phosphorylation, neuroactive ligand-receptor interaction, response to hormone, etc. Bioinformatics analysis also showed that the targets of components with differences were correlated with the syndromes of "liver yin deficiency" in traditional Chinese medicine, such as stagnation of liver qi, wind heat, fiery heat, deficiency of liver and kidney, hyperactivity of yang due to yin deficiency, and liver wind. It suggested that it mainly enters the liver meridian, focusing on the functions of soothing liver and relieving depression, dispersing wind-heat in the liver meridian, clearing liver and purging fire, nourishing liver and kidney, nourishing yin and subduing yang, calming liver and calming wind. CONCLUSION Before and after processing, the medicinal substances and properties of Bupleuri Radix processed with Trionyx blood have changed, which is obviously related to the syndrome of "liver yin deficiency", suggesting that the processing of Bupleuri Radix processed with Trionyx blood based on the theory of "Bupleuri Radix robbing yin of liver" is scientific to some extent.