Analysis of Prototype Components and Metabolites from Bergeniae Scopulosae Rhizoma Absorbed into Blood by UHPLC-Q Exactive Focus MS/MS

REN Hui; LU Wenjing; CUI Xiaomin; HU Jing; LI Ning; QU Tong; CHEN Zhiyong

doi:10.13422/j.cnki.syfjx.20220554

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Analysis of Prototype Components and Metabolites from Bergeniae Scopulosae Rhizoma Absorbed into Blood by UHPLC-Q Exactive Focus MS/MS

更新时间：2022-12-08

- Analysis of Prototype Components and Metabolites from Bergeniae Scopulosae Rhizoma Absorbed into Blood by UHPLC-Q Exactive Focus MS/MS
- Chinese Journal of Experimental Traditional Medical Formulae Vol. 29, Issue 1, Pages: 113-122(2023)
- 作者机构：
  
  陕西省中医药研究院，西安 710003
- 作者简介：
- 基金信息：
- DOI：10.13422/j.cnki.syfjx.20220554
  CLC： R22;R28;R931;O657
- Received：11 March 2022，
  
  Published Online：07 June 2022，
  
  Published：05 January 2023
- 稿件说明：
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任慧,鲁文静,崔小敏等.秦岭岩白菜入血成分及其代谢产物的UHPLC-Q Exactive Focus MS/MS分析[J].中国实验方剂学杂志,2023,29(01):113-122.

REN Hui,LU Wenjing,CUI Xiaomin,et al.Analysis of Prototype Components and Metabolites from Bergeniae Scopulosae Rhizoma Absorbed into Blood by UHPLC-Q Exactive Focus MS/MS[J].Chinese Journal of Experimental Traditional Medical Formulae,2023,29(01):113-122.
任慧,鲁文静,崔小敏等.秦岭岩白菜入血成分及其代谢产物的UHPLC-Q Exactive Focus MS/MS分析[J].中国实验方剂学杂志,2023,29(01):113-122. DOI： 10.13422/j.cnki.syfjx.20220554.

REN Hui,LU Wenjing,CUI Xiaomin,et al.Analysis of Prototype Components and Metabolites from Bergeniae Scopulosae Rhizoma Absorbed into Blood by UHPLC-Q Exactive Focus MS/MS[J].Chinese Journal of Experimental Traditional Medical Formulae,2023,29(01):113-122. DOI： 10.13422/j.cnki.syfjx.20220554.

摘要

目的

研究秦岭岩白菜提取物在大鼠体内的入血原型成分及代谢产物。

方法

采用超高效液相色谱-四极杆/静电场轨道阱高分辨质谱法（UHPLC-Q Exactive Focus MS/MS）技术，通过比对秦岭岩白菜提取液、空白血清和含药血清的图谱差异，根据保留时间、相对分子质量，以及一级、二级离子碎片，解析秦岭岩白菜提取物经大鼠灌胃给药后血清中的原型成分和代谢产物，检测条件为流动相选择甲醇（A）-0.1%甲酸水溶液（B）梯度洗脱（0~40 min，5%~95%A；40~45 min，95%A），流速设定0.3 mL·min

-1

，进样量1 µL，加热电喷雾离子源，检测范围

80~1 200，正、负离子扫描模式。

结果

大鼠口服给药后，共在血清中检测到35个移行成分，其中6个为原型成分，29个为代谢产物。经鉴定6个原型成分分别为熊果苷、mallonanoside A、岩白菜素、ardimerin、水杨酸、鞣花酸，29个代谢产物主要是来自含有没食子酸、mallonanoside A、岩白菜素、儿茶素、鞣花酸等结构单元的化合物代谢物，其代谢途径主要为葡萄糖醛酸化、硫酸酯化、甲基化等，以Ⅱ相代谢为主。

结论

入血成分及其代谢产物可能是秦岭岩白菜体内直接作用的药效成分，其中mallonanoside A、岩白菜素、鞣花酸在体内既可以原型成分入血，又可以经过Ⅱ相代谢发挥药效；而秦岭岩白菜药材中的其他大多数化学成分在体内可能主要是先通过水解等途径转化为没食子酸、岩白菜素、儿茶素等简单结构，再进一步发生Ⅱ相代谢。

Abstract

Objective

To analyze the blood-transition constituents of Bergeniae Scopulosae Rhizoma extract based on the serum pharmacochemical method.

Method

Ultra-high performance liquid chromatography-quadrupole/electrostatic field orbital trap high resolution mass spectrometry （UHPLC-Q Exactive Focus MS/MS） technique was used to compare the chromatogram differences of Bergeniae Scopulosae Rhizoma extract， blank serum and drug-containing serum， according to the retention time， relative molecular weight and the ratio with primary and secondary ion fragments provided by MS， the prototype components and metabolites of Bergeniae Scopulosae Rhizoma extract were analyzed in serum of rats after oral administration. The detection conditions were as follows：the mobile phase of methanol （A）-0.1% formic acid solution （B） for elution gradient （0-40 min， 5%-95%A； 40-45 min， 95%A）， the flow rate of 0.3 mL·min

-1

， the injection volume of 1 µL， heated electrospray ionization， detection range of

80-1 200， positive and negative ion scanning modes.

Result

After oral administration， a total of 35 components were detected in the serum， of which 6 were prototype components and 29 were metabolites of prototype components. The 6 prototype components were identified as arbutin， mallonanoside A， bengenin， ardimerin， salicylic acid and ellagic acid. The 29 metabolites were mainly metabolites from compound containing structural units such as gallic acid， mallonanoside A， bengenin， catechin， and ellagic acid， and their metabolic pathways were mainly glucuronidation， sulfation， methylation and others， which by phase Ⅱ metabolism.

Conclusion

The components absorbed into the blood and their metabolites may be the pharmacodynamic components of Bergeniae Scopulosae Rhizoma. Among them， mallonanoside A， bengenin and ellagic acid can not only enter the blood as prototype components， but also exert their efficacy through phase Ⅱ metabolism. Most of the other chemical components in Bergeniae Scopulosae Rhizoma may be transformed into simple structures such as gallic acid， bengenin and catechin by hydrolysis， and then further metabolized by phase Ⅱ.

关键词

Keywords

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