A UHPLC-Q/TOF-MS/MS-based systematic strategy for analysis of chemical constituents and rat metabolite profiles of modified Shengmai powder

IF 3.1 3区 医学 Q2 CHEMISTRY, ANALYTICAL
Meng Zhou , Huizhi Luo , Jingjing Ding , Qi Lv , Wanyue She , Jueying Wang , Xiquan Xu , Maidina Aimurula , Changyin Li , Rong Sun , Liyuan Tian , Yu Gu
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Abstract

Modified Shengmai Powder (MSP), derived from a classical formula in Yixue Qiyuan, has demonstrated clinical efficacy in alleviating radiation-induced injuries. However, its holistic chemical constituents and in vivo bioactive constituents remain unclear. In this study, a systematic strategy based on ultra-high performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry (UHPLC-Q/TOF-MS/MS) combined with the MS-DIAL and MS-FLO platforms was developed to analyze the chemical constituents of MSP and its metabolite profiles in rats. As a result, a total of 121 chemical constituents in MSP were identified, including 33 phenylpropanoids, 21 terpenes, 18 flavonoids, 14 saponins, 11 organic acids, 10 glycosides, 5 amino acids, 2 sugars, and 7 others. Chlorogenic acid was identified as the predominant constituent and was recommended as a key quality marker. Furthermore, 38 prototype constituents and 47 metabolites were identified in serum, urine, and feces of rats. It was also observed that metabolic pathways primarily involved phase I processes, mainly including oxidation, reduction, and hydrolysis, while phase II pathways and their associated metabolites were relatively less prominent. In conclusion, this study identified the chemical constituents of MSP and characterized their metabolite profiles in rat serum, urine and feces. These findings provide a scientific basis for further exploration of the material basis underlying MSP efficacy and offer theoretical support for understanding its mechanism of action and clinical applications.
基于UHPLC-Q/TOF-MS/ ms的改良生脉散化学成分及大鼠代谢物分析方法
生脉散(MSP)是由益血气源经典方衍生而来,具有减轻辐射损伤的临床疗效。然而,其整体化学成分和体内生物活性成分尚不清楚。本研究采用超高效液相色谱-四极杆飞行时间串联质谱(UHPLC-Q/TOF-MS/MS)技术,结合MS- dial和MS- flo平台,对大鼠体内MSP的化学成分及其代谢物进行了系统分析。共鉴定出121种化学成分,其中苯丙素33种、萜烯21种、黄酮类18种、皂苷14种、有机酸11种、糖苷10种、氨基酸5种、糖2种、其他7种。绿原酸为主要成分,推荐作为关键质量标志。此外,在大鼠的血清、尿液和粪便中鉴定出38种原型成分和47种代谢物。我们还观察到,代谢途径主要涉及第一阶段过程,主要包括氧化、还原和水解,而第二阶段途径及其相关代谢物相对不那么突出。综上所述,本研究鉴定了MSP的化学成分,并对其在大鼠血清、尿液和粪便中的代谢产物谱进行了表征。这些发现为进一步探索MSP疗效的物质基础提供了科学依据,也为了解MSP的作用机制和临床应用提供了理论支持。
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来源期刊
CiteScore
6.70
自引率
5.90%
发文量
588
审稿时长
37 days
期刊介绍: This journal is an international medium directed towards the needs of academic, clinical, government and industrial analysis by publishing original research reports and critical reviews on pharmaceutical and biomedical analysis. It covers the interdisciplinary aspects of analysis in the pharmaceutical, biomedical and clinical sciences, including developments in analytical methodology, instrumentation, computation and interpretation. Submissions on novel applications focusing on drug purity and stability studies, pharmacokinetics, therapeutic monitoring, metabolic profiling; drug-related aspects of analytical biochemistry and forensic toxicology; quality assurance in the pharmaceutical industry are also welcome. Studies from areas of well established and poorly selective methods, such as UV-VIS spectrophotometry (including derivative and multi-wavelength measurements), basic electroanalytical (potentiometric, polarographic and voltammetric) methods, fluorimetry, flow-injection analysis, etc. are accepted for publication in exceptional cases only, if a unique and substantial advantage over presently known systems is demonstrated. The same applies to the assay of simple drug formulations by any kind of methods and the determination of drugs in biological samples based merely on spiked samples. Drug purity/stability studies should contain information on the structure elucidation of the impurities/degradants.
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