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

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

关键词:  鳖血柴胡  炮制理论  UHPLC-Q-TOF-MS  生物信息分析

Key words:  Bupleuri Radix processed with Trionyx blood  processing theory  UHPLC-Q-TOF-MS  bioinformatic analysis

摘要:

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"差异成分-靶点-功效-中医证候"进行相关分析。结果 鳖血柴胡炮制后松脂素、山奈酚素、鸟嘌呤核苷、淫羊藿苷F2、柴胡皂苷BK1、柴胡皂苷D、异土木香内酯等37种成分发生了明显改变,生物信息分析显示差异成分相关靶点主要富集定位在肝脏、骨髓、小肠、脾脏等组织,靶点功效主要与G蛋白偶联受体信号传导通路、蛋白质磷酸化、神经活性配体-受体相互作用、激素反应等生物学过程相关,与肝气郁滞、风热、火热、肝肾亏虚、阴虚阳亢、肝风等中医"肝阴虚"类证候呈现相关性,显示其主入肝经,侧重于疏肝解郁、疏散肝经风热、清肝泻火、滋补肝肾、滋阴潜阳、平肝息风等功效。结论 鳖血柴胡炮制前后药效物质及药性发生了一定的变化,其变化与"肝阴虚"相关证候有明显的关联性,提示基于"柴胡劫肝阴"理论的鳖血柴胡炮制理论具有一定的科学性。

Abstract:

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.