Untargeted metabolomics study and identification of potential biomarkers in the six sections of the genus Stachys L. (Lamiaceae) using HPLC‐MQ‐API‐MS/MS

Abstract

Introduction The genus Stachys L., belonging to the family Lamiaceae, is one of the largest genera with remarkable medicinal properties. Plants of this genus produce a broad range of secondary metabolites. Objectives Due to the incomplete comprehensive assessment of chemical profiles in Stachys species, we conducted an untargeted metabolomics study and identified potential biomarkers in the six sections of Stachys with chemotaxonomic importance. Material and Methods Dried leaves of 17 taxa were utilized for analysis of all the constituents using HPLC‐MQ‐API‐MS. The obtained data were processed and analyzed using multivariate statistical methods, including heatmaps, PLS‐DA score plots, functional analysis of metabolic pathways, metabolite set enrichment analysis, and biomarker and network analysis. Results Among the 129 metabolites, 111 flavonoids and 18 non‐flavonoids were recognized. The most represented flavonoids, including 41 flavones and 20 flavonols, displayed remarkable abundance. In non‐flavonoid compounds, a total of six coumarins and six phenolic acids were present at high levels. In terms of approved markers in six sections, 76 chemical compounds, mainly flavonoids, coumarins, quinic acids, and cinnamic acids, were identified as potential biomarkers or chemotaxonomic indicators. Accordingly, the taxonomic complexities of some Stachys species in sections Fragilicaulis, Aucheriana, and Setifolia were properly resolved. Conclusion An HPLC‐MS/MS‐based metabolomics approach integrated with multivariate statistical methods was employed to identify (1) valuable markers and analyze metabolic diversity and (2) predict the pharmaceutical properties of Stachys species. The obtained chemical profiles provide a new perspective for investigation of the Stachys genus.

Changes in Polyphenolic Compounds of Hutai No. 8 Grapes during Low-Temperature Storage and Their Shelf-Life Prediction by Identifying Biomarkers

“…Two phenolic acids, that is, 1- O -vanilloyl-β- d -glucose and p -coumaric acid 4-glucoside, were also used as biomarkers in response to temperature. Phenolic acids have also been reported to be potential biomarkers for the identification of different parts of the genus Stachys L. (Lamiaceae) due to the significant differences exhibited in their content . Resveratrol-3- O -glucoside belongs to the stilbene group.…”

Comparative Analysis of Chemical Composition of Zanthoxylum myriacanthum Branches and Leaves by GC-MS and UPLC-Q-Orbitrap HRMS, and Evaluation of Their Antioxidant Activities

“…components, including 21 flavonoids (1,9, 11, 12, 14, 15, 17, 19, 20, 21, 22, 24, 26, 27, 29, 32, 34, 36, 40, 41 and 48), 4 alkaloids(3,5,23,58), 7 fatty acids (4, 7, 8, 43, 45, 50 and 53), 3 phenols (6, 31 and 35), 2 phenylpropanoids (10 and 13), 1 ester(16), and several other compounds(46). A total of 33 non-volatile components were identified in the branches, including 6 flavonoids(28,32,33,39,41,54), 15 alkaloids(2, 5, 23, 25, 37, 38, 42, 47, 49, 51, 52, 59, 61, 63 and 65), 4 fatty acids(7, 44, 45 and 57), 1 phenylpropanoid (30), 3 esters(16, 56 and 66), and several other compounds…”