Discovery of chemical marker formaidong(roots ofOphiopogon japonicusandLiriope spicata): a feature-based molecular networking approach

Abstract

AbstractBackgroundDried tuberous roots ofOphiopogon japonicusandLiriope spicataare collectively used asmaidongmedicine in China for the same clinical efficacy-nourishyinand generate fluids, moisten lung and clear heart fire. Extensive cultivation of these species has necessitated the need for stringent quality control measures. To guide quality control efforts effectively, a comprehensive understanding of metabolomic profiles ofmaidongis essential.MethodsMetabolomic profiling was conducted using ultra-high performance liquid chromatography coupled to a timsTOF Pro hybrid quadrupole-time-of-flight mass spectrometer employing trapped ion mobility spectrometry. Data interpretation was enhanced through feature-based molecular networking (FBMN), uni- and multivariate data analysis (MVDA), andin silicoannotation.ResultsThe present study showcases a holistic overview of the metabolomic diversity and variation amongmaidongderived from different origins. Steroidal saponins and homoisoflavonoids were recognized as predominant chemical classes.Ophiopogon japonicuspredominantly exhibited a variety of homoisoflavonoids, whereasLiriope spicatawas characterized by a diversity of steroidal saponins. Characteristic metabolites amongmaidongderived from four origins were highlighted. Annotations of 58 metabolites revealed significant inter-species discrimination, with 6 and 36 metabolites critical for regional differentiation inLiriope spicataandOphiopogon japonicus, respectively.ConclusionThe current approach effectively discriminatedmaidongfrom different origins, and facilitated the selection of chemical markers for quality assessment. This approach supports the advancement of quality control strategies for botanical medicines, particularly those derived from multiple origins, ensuring a more rigorous chemical marker selection for botanical medicines.