UPLC-LTQ-Orbitrap MS法鉴定棉酚在肝微粒体的代谢产物

Identify Metabolites of Gossypol in Rats Liver Microsomes by UPLC-LTQ-Orbitrap Mass Spectrometry

本文主要研究棉酚在大鼠肝微粒体中的代谢产物。首先以大鼠肝微粒体温孵棉酚,采集大鼠肝微粒体孵育样品并制备样品,然后采UPLC-LTQ-Orbitrap MS法对温孵体系中的代谢产物进行分析。结果发现在大鼠肝微粒体温孵体系中共检测除原型在外的2个代谢产物,主要为羟基化的代谢产物。本文通过研究棉酚的代谢转化,发现易于发生代谢的位点和结构特征,为进一步研究棉酚在体内的代谢和代谢酶奠定基础。

The metabolisms of gossypol in rat liver microsomes were investigated. A highly sensitive and specific ultra-high-performance liquid chromatography coupled with linear ion trap-Orbitrap mass spectrometer was developed to characterize metabolites of gossypol in vitro. In total, 2 metabolites of gossypol were tentatively identified and characterized based on the accurate mass measurements, the retention time and mass fragmentation patterns, respectively. Hydroxylation was found to the major metabolic pathway of gossypol in RLMs. The result showed that gossypol was likely metabolized via phase I in RLMs. The structure-metabolic pathway relationship was analyzed to reveal metabolic soft spots and the structure characterizations of the compound. This would help to preliminarily clarify the metabolic regularity, it also can give system supporter of further pharmacological study and in vivo metabolism studies of gossypol.