目的 研究大鼠ig芍藥甘草湯后肝組織中的原型成分及代謝產(chǎn)物并分析其體內(nèi)代謝途徑。方法 ig給予SD大鼠芍藥甘草湯水煎液提取物0.4 g∙kg⁻¹后，采集11個不同時間點(diǎn)大鼠肝組織樣本。采用UPLC-Q-TOF-MS/MS技術(shù)對不同時間點(diǎn)的含藥肝組織樣本進(jìn)行檢測，使用Analyst®TF 1.7.1 Software初步處理質(zhì)譜數(shù)據(jù)，再通過PeakView 2.0和Masterview1.0進(jìn)行高級分析和可視化，獲取原型成分及代謝產(chǎn)物的保留時間和質(zhì)譜信息，結(jié)合MetabolitePilotTM1.5 Software的代謝產(chǎn)物分析識別功能解析不同時間點(diǎn)含藥血清樣品中的原型成分和代謝產(chǎn)物，總結(jié)其體內(nèi)代謝規(guī)律。結(jié)果 在負(fù)離子模式下，從大鼠肝組織共檢測到71個原型成分，其中黃酮類成分35個，萜類成分19個，揮發(fā)油類成分9個，香豆素類成分5個，有機(jī)酸類成分2個及1個其他類成分。同時，檢測到540個代謝產(chǎn)物。推測芍藥甘草湯的主要化學(xué)成分在肝組織內(nèi)的代謝途徑主要包括苷鍵水解、酯水解、脫烴、氧化、還原、去甲基化、甲基化、葡萄糖醛酸化、硫酸酯化、甘氨酸化等。結(jié)論 初步確定了芍藥甘草湯在大鼠肝組織中的原型成分及代謝產(chǎn)物，并為進(jìn)一步闡釋芍藥甘草湯的藥效物質(zhì)基礎(chǔ)及作用機(jī)制提供參考依據(jù)。

Objective To study the prototype components and metabolites in rat liver tissue after ig administration of Shaoyao Gancao Decoction and its metabolic pathways in vivo. Methods The liver tissue samples of SD rats were collected at 11 different time points after ig administration of the water decoction extract of Shaoyao Gancao Decoction (0.4 g∙kg⁻¹). An ultra-high performance liquid chromatography-quadrupole time-of-flight tandem mass spectrometry (UPLC-Q-TOF-MS/MS) technique was used to detect the drug-containing liver tissue samples at different time points. Analyst ® TF 1.7.1 Software was used to preliminarily process the mass spectrometry data, and then PeakView 2.0 and Masterview 1.0 were used for advanced analysis and visualization to obtain the retention time and mass spectrometry information of prototype components and metabolites. Combined with the metabolite analysis and recognition function of MetabolitePilotTM1.5 Software, the prototype components and metabolites in drug-containing serum samples at different time points were analyzed, and the metabolic rules in vivo were summarized. Results In the negative ion mode, a total of 71 prototype components were detected from rat liver tissue, including 35 flavonoids, 19 terpenoids, 9 volatile oils, 5 coumarins, 2 organic acids and 1 other component (protocatechuic aldehyde). At the same time, 540 metabolites were detected. It is speculated that the metabolic pathways of the main chemical components of Shaoyao Gancao Decoction in liver tissue mainly include glycosidic bond hydrolysis, ester hydrolysis, dealkylation, oxidation, reduction, demethylation, methylation, glucuronidation, sulfation, and glycine. Conclusion The prototype components and metabolites of Shaoyao Gancao Decoction in rat liver tissue were preliminarily determined, it provided a reference for further explaining the pharmacodynamic material basis and mechanism of Shaoyao Gancao Decoction.

R284.1

河北省自然科學(xué)基金資助項目（H2023423005）;河北省中醫(yī)藥管理局科研計劃項目（2023114，2020130）;河北中醫(yī)學(xué)院優(yōu)秀青年基金項目（YQ2020006）