The systematic characterization of multiple components and metabolic profiling of bioactive constituents in Yaobitong capsule by UHPLC/Q-TOF-MS/MS

Abstract

Yaobitong capsule is a valuable traditional Chinese medicine prescription (TCMP), which can effectively treat lumbar disc herniation clinically. However, the effective substances in Yaobitong capsule are still unclear due to a lack of metabolic studies. This poses a huge obstacle preventing the clinical safety assessment and quality control of Yaobitong capsule. In order to explore the metabolic landscape of the multiple components of Yaobitong capsule, this paper proposed a rapid and high-throughput UHPLC/Q-TOF-MS/MS method for carrying out a systematic study, including analyzing the chemical ingredients in vitro and studying the metabolic processes in rat urine, feces, and bile after the oral administration of Yaobitong capsule. A total of 90 Yaobitong-capsule-related chemical components were characterized or tentatively identified in extract solution based on the retention behaviors, measured mass values, and fragmentation patterns. Furthermore, 49 related metabolites were detected in urine, feces, and bile samples. All metabolites were also identified with the help of the Sciex OS tool from these biological samples. The results revealed that triterpenoid saponins, alkaloids, monoterpene glycosides, and phthalides were the main chemical components of Yaobitong capsule. In addition, glucuronidation, hydroxylation, sulfation, and N-acetylcysteine conjugation were the main metabolic reactions in rats after the oral administration of Yaobitong capsule. The results indicated that the established method for multicomponent metabolism identification was appropriate, and the metabolic profiling of Yaobitong capsule provides abundant material for a wide range of further research; this is of significance for carrying out studies of pharmacodynamic mechanisms.