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首页> 外文期刊>Journal of separation science. >Identification and analysis of chemical constituents and rat serum metabolites in Suan-Zao-Ren granule using ultra high performance liquid chromatography quadrupole time-of-flight mass spectrometry combined with multiple data processing approaches
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Identification and analysis of chemical constituents and rat serum metabolites in Suan-Zao-Ren granule using ultra high performance liquid chromatography quadrupole time-of-flight mass spectrometry combined with multiple data processing approaches

机译：使用超高效液相色谱法中的飞行时间质谱法与多种数据处理方法相结合的超高效液相色谱法鉴定和分析Suan-Zao-or颗粒中的化学成分和大鼠血清代谢物。

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摘要

Suan-Zao-Ren granule is widely used to treat insomnia in China. However, because of the complexity and diversity of the chemical compositions in traditional Chinese medicine formula, the comprehensive analysis of constituents in vitro and in vivo is rather difficult. In our study, an ultra high performance liquid chromatography with quadrupole time-of-flight mass spectrometry and the PeakView (R) software, which uses multiple data processing approaches including product ion filter, neutral loss filter, and mass defect filter, method was developed to characterize the ingredients and rat serum metabolites in Suan-Zao-Ren granule. A total of 101 constituents were detected in vitro. Under the same analysis conditions, 68 constituents were characterized in rat serum, including 35 prototype components and 33 metabolites. Themetabolic pathways of main components were also illustrated. Among them, the metabolic pathways of timosaponin AI were firstly revealed. The bioactive compounds mainly underwent the phase I metabolic pathways including hydroxylation, oxidation, hydrolysis, and phase II metabolic pathways including sulfate conjugation, glucuronide conjugation, cysteine conjugation, acetycysteine conjugation, and glutathione conjugation. In conclusion, our results showed that this analysis approach was extremely useful for the in-depth pharmacological research of Suan-Zao-Ren granule and provided a chemical basis for its rational.
机译：Suan-Zao-er颗粒被广泛用于治疗中国的失眠。然而，由于中药式中化学组成的复杂性和多样性，体外和体内成分的综合分析相当困难。在我们的研究中，开发了一种超高性能液相色谱，具有四极杆飞行时间的质谱和峰值（R）软件，它开发了包括产品离子滤波器，中性损耗滤波器和质量缺陷滤波器的多种数据处理方法，方法以苏南枣仁颗粒中的成分和大鼠血清代谢物。在体外检测总共101种成分。在相同的分析条件下，大鼠血清的68种成分特征，包括35个原型组分和33种代谢物。还说明了主要成分的Themetabolic途径。其中，首先揭示了Timosaponin Ai的代谢途径。生物活性化合物主要经历了包括羟基化，氧化，水解和第二代代谢途径，包括硫酸盐缀合，葡糖醛酸族缀合，半胱氨酸缀合，临胱氨酸缀合和谷胱甘肽缀合物的相I代谢途径。总之，我们的研究结果表明，这种分析方法对于Suan-Zao-or颗粒的深入药理学研究非常有用，并为其理性提供化学基础。

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