Identification of prototype compounds and their metabolites in rats' serum from Xuefu Zhuyu Decoction by UPLC-Q-TOF/MS.
Identification of prototype compounds and their metabolites in rats' serum from Xuefu Zhuyu Decoction by UPLC-Q-TOF/MS.
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UPLC-Q-TOF/MS 鉴定血府逐瘀汤大鼠血清中原型化合物及其代谢物
DOI：
10.1016/j.chmed.2022.08.002
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发表时间：
2023-01
影响因子：
3.8
通讯作者：
中科院分区：
文献类型：
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作者：
血府逐瘀汤作为中医经典方剂，在临床上广泛应用于心脑血管疾病的治疗。为了揭示潜在的有效化合物，建立了超高效液相色谱-四极杆飞行时间质谱（UPLC-Q-TOF/MS）联用技术，对血府逐瘀汤大鼠血清中的原型化合物及其代谢产物进行了鉴定。采用UPLC-Q-TOF/MS法对血府逐瘀汤水提物灌胃给药后大鼠血清进行分析。通过与参比标准品的比较，对原型化合物及其代谢产物进行了鉴定，并通过综合分析保留时间、质谱数据、特征质谱裂解模式和检索文献，对原型化合物及其代谢产物进行了初步表征。共鉴定和初步表征了175种化合物（24种原型化合物和151种代谢产物）。总结了原型化合物在体内的代谢途径，包括葡萄糖醛酸化、水解、硫酸化、脱甲基和羟基化等，本研究采用UPLC-Q-TOF/MS技术对血清中XFZYD原型化合物及其代谢物进行分析，为进一步研究XFZYD的有效成分提供依据。
As a classic prescription in traditional Chinese medicine, Xuefu Zhuyu Decoction (XFZYD) has been widely used in the clinical treatment of cardiovascular and cerebrovascular diseases. In order to unveil the potentially effective compounds, a rapid ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF/MS) method was established to identify prototype compounds and their metabolites from XFZYD in rats’ serum. The serum from rats after intragastric administration of XFZYD aqueous extract was analyzed by UPLC-Q-TOF/MS method. The prototype compounds and their metabolites were identified by comparison with the reference standards and tentatively characterized by comprehensively analyzing the retention time, MS data, characteristic MS fragmentation pattern and retrieving literatures. A total of 175 compounds (24 prototype compounds and 151 metabolites) were identified and tentatively characterized. The metabolic pathways of prototype compounds in vivo were also summarized, including glucuronidation, hydrolyzation, sulfation, demethylation, and hydroxylation, and so on. In this study, a UPLC-Q-TOF/MS technique was developed to analyze prototype compounds and their metabolites from XFZYD in serum, which would provide the evidence for further studying the effective compounds of XFZYD.