基于HPLC-Q-Exactive MS/MS的二味杜仲汤血浆成分研究

STUDY ON PLASMA COMPONENTS OF ERWEI DUZHONG DECOCTION BASED ON HPLC-Q-EXACTIVE MS/MS

目的:通过研究蒙药二味杜仲汤(Erwei Duzhong Decoction,EDD)的血浆移行成分,进一步阐明进入血液的原型成分和可能的代谢物,为深入研究EDD的体内药效学提供科学依据。方法:采用HPLC-Q-Exactive MS/MS对给予EDD的大鼠的血浆成份进行全面表征,比较空白血浆、含药血浆、EDD方剂、杜仲和蓝刺头药材质谱图,并结合Xcalibur 3.0软件的多数据处理方法和Compound discover 3.0对入血成分进行鉴定和代谢物预测。结果:根据化学成分的准确分子量与对照品及文献数据的对比共筛选入血成分43个,包括原型成分29个和代谢产物14个。原型成分中有苯丙素类14个、黄酮类4个、木脂素类1个、环烯醚萜7个、倍半萜类1个、其他类2个。结论:初步明确了EDD入血原型成分和可能存在的代谢产物,为明确EDD体内药效形式和代谢途径奠定基础。

Objective:To study the plasma transitional components of Erwei Duzhong Decoction(EDD),a Mongolian medicine formula,and clarify the prototype components entering the blood and possible metabolites,provide a scientific basis for indepth study of the pharmacodynamics of EDD in vivo.Methods:HPLC-Q-Exactive MS/MS gave a comprehensive description of EDD blood,compared the mass spectra of blank plasma,drug containing plasma,EDD formula,Eucommia ulmoides and Nitraria lanceolata,combined with the multi data processing method of xcalibur 3.0 software and compound discovery 3.0 to identify the components in the blood and predict the metabolites.Results:According to the comparison of the accurate molecular weight of the chemical composition with that of the reference substance and that in the literature,a total of 43 blood components were screened,including 29 prototype components and 14 metabolites,and 14 phenylpropanoids,4 flavonoids,1 lignans,7 iridoids,1 sesquiterpenes and 2 other types belonging to the prototype components.Conclusions:The blood prototype components and possible metabolites were preliminarily defined,which laid a foundation for clarifying the form of efficacy and metabolic pathway of EDD in vivo.