Characterization and Identification of the Chemical Constituents and the Metabolites of Geum japonicum Thunb. var. chinense F. Bolle.

Introduction: Geum japonicum Thunb. var. chinense F. Bolle (GJ) holds significance as a traditional Miao medicine, one of China's ethnic minorities, extensively utilized in the clinical management of cardiovascular ailments. However, little attention has been directed toward the chemical constituents of GJ, as well as the metabolic and distribution of its chemical constituents in vivo.

Objective: The objective of this study is to qualitatively analyze the chemical constituents of GJ, as well as their prototype components and metabolites in vivo.

Methods: We established a reliable method using ultra-high-performance liquid chromatography coupled with quadrupole Exactive Orbitrap mass spectrometry (UHPLC-Q-Exactive Orbitrap-MS) to conduct a comprehensive analysis of GJ as well as systematically to screen the prototype and metabolite constituents in rat plasma, urine, feces, brain, heart, liver, spleen, and kidney after gastric perfusion.

Results: A total of 94 compounds were identified or tentatively characterized in GJ. Moreover, a total of 75 in vivo components were identified from the plasma, urine, feces, brain, heart, liver, spleen, and kidney of rats gavaged with 500 mg/kg of GJ extract, including 19 prototype components and 56 metabolites. The metabolic pathways, including Phase I reactions and Phase II reactions, for the absorbed constituents, were explored and summarized. Moreover, the metabolic pathways of GJ were proposed, which shed light on their mechanism.

Conclusion: This is the first systematic study on the components of GJ and their metabolites in vivo and in vitro. The metabolite distribution and metabolic pathways of GJ in vivo were further proposed.