Comparative UHPLC-MS/MS-based untargeted metabolomics analysis of flowers, leaves, and stems of Zygophyllum coccineum and Zygophyllum album

Zygophyllum coccineum and Zygophyllum album are two important plant species that belong to the halophyte family Zygophyllaceae . This study aimed to compare the untargeted UHPLC-MS/MS metabolite profiles of leaves, flowers, and stems of both plants grown in Saudi Arabia for the first time. A total of 212 metabolites from twelve different classes were accurately annotated. The six parts were categorized into two groups based on PCA and PLS-DA scores, revealing significant differences in the number of distinct metabolites between the two plants. The PCA of pooled QCs and samples confirmed the robustness and accuracy of the extraction and analytical process. The main super-classes in both plants were identified through multivariate analysis as lipid and lipid-like molecules, organic acids, and derivatives, benzenoids, organoheterocyclic compounds, organic oxygen compounds, phenylpropanoids and polyketides, organic nitrogen compounds, nucleosides, nucleotides, and analogues, sterol lipids, fatty acyls, prenol lipids, and organic acids. Leucyl-4-hydroxyproline, sn -glycero-3-phosphocholine, sinapinic acid, 6-hydroxyluteolin 7-sophoroside, 2-butyl-3,6-dimethylpyrazine, N-palmitoyl glutamine, 11-phenyl-7 E -undecenoic acid, and N-(2-hydroxyethyl)-9-octadecenamide are the most promising significant metabolites. The metabolite profiles of the leaves, flowers, and stems of Z. coccineum and Z. album differed significantly. Certain metabolites were more abundant in one particular part than in the same part of the other plant. The majority of these metabolites are known for their significant therapeutic and stress-resistant qualities, making them potential targets for future research.