基于UFLC-IT-TOF-MS技术的牡荆子中2个木脂素在大鼠体内代谢研究

目的对牡荆子中2个木脂素单体化合物6-羟基-4-(4-羟基-3-甲氧基苯基)-3-羟甲基-7-甲氧基-3,4-二氢-2-萘醛(VB-1)和vitedoin A(VB-2)在大鼠体内的代谢情况进行研究。方法采用超快速液相色谱-离子阱飞行时间质谱(UFLC-IT-TOF-MS)技术,鉴定大鼠分别ig给予2个木脂素单体化合物后,粪便、尿液、胆汁、血浆中的代谢产物。结果发现并确证了2个木脂素原型及其11个代谢产物在大鼠体内的存在。通过代谢产物鉴定分析了其主要代谢途径,发现在大鼠体内这2个木脂素成分发生了葡萄糖醛酸化、硫酸化、羟化、羟化硫酸化、还原葡萄糖醛酸化和还原硫酸化等代谢反应。结论通过对2个木脂素单体化合物代谢产物的分析,基本阐明了其在体内的代谢过程,为进一步的药理活性及其机制研究提供了依据。

Characterization of metabolites in rats after gavage of two lignans from fruits of Vitex negundo var. cannabifolia by UFLC-IT-TOF-MS

Objective To investigate in vivo metabolic profiles of two lignans, 6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-3- hydroxymethyl-7-methoxy-3,4-dihydro-2-naphthaldehyde (VB-1) and vitedoin A (VB-2) in the rats. Methods A UFLC-IT- TOF-MS method was applied to characterize the prototypes and metabolites of VB-1 and VB-2 in rat feces, urine, bile, and plasma after oral administration. Results Eleven metabolites of the two parent compounds were detected and two prototypes were identified unambiguously by comparing with references. Analysis of metabolites revealed that glucuronidation, sulfation, and hydroxylation were major biotransformation pathways of two lignans. Conclusion In this study, under the analysis of metabolites of two lignans, its in vivo metabolic process is basically clarified. The results could be helpful for the further pharmacokinetics and pharmacological evaluations of VB-1 and VB-2 .