Analysis of blood migration components in rats treated with Shaoyao Gancao Decoction using UPLC-Q-TOF-MS/MS

To study the prototype components and metabolites at different time points in the serum of rats after oral administration with Shaoyao Gancao Decoction (SGD), and to analyze their metabolism regularities in vivo. The UPLC-Q-TOF-MS/MS method was used to analyze the drug-containing serum samples at different time points. The mass spectrometry data were preliminarily processed using Analyst® TF 1.7.1 Software, followed by advanced analysis and visualization by PeakView 2.0 and Masterview1.0 to determine the retention time and relevant details of prototype components and metabolites. The MetabolitePilot™1.5 was employed to analyze the prototype components and metabolites in drug-containing serum samples at different time points, systematically summarizing their in vivo metabolic profiles. A total of 79 prototype components and 527 metabolites were detected in serum samples collected at 10 different time points, including flavonoids, terpenoids, volatile oils, organic acids, alkaloids, coumarins, etc. Of these, 11 prototype components were detected at all time points in the positive ion mode, and 19 were detected in the negative ion mode. Specifically, seven key components, including glycyrrhetinic acid, isoglycyrrhetinic acid, macedonic acid, diisobutyl phthalate, dibutyl phthalate, vitexin, and linoleic acid, were detected in both ion modes. This article is the first to analyze the metabolites of drug-containing serum at 10 different time points. The predominant metabolic processes in vivo included oxidation, reduction, hydrolysis, glucuronidation, sulfation, acetylation, methylation, and amino acid conjugation. The study revealed detailed data about the effective substances in SGD having a potential protective role against liver injury, which will support further investigation of the effective ingredient group of SGD and associated mechanism(s).