Aug 2026· Natural Product Research· pp.
1-10
· 0 citations· 23 references
Medicine
TL;DR
A comparative metabolomic analysis of roots, stems, and leaves collected from the same population, season, and developmental stage using untargeted metabolomics combined with multivariate statistical methods reveals Gerbera piloselloides' organ-specific metabolism and guide rational medicinal and edible use.
Abstract
Gerbera piloselloides (L.) Cass. is a medicinal and edible plant with diverse pharmacological activities attributed to its abundant metabolites. However, systematic research on the organ-specific metabolite distribution and accumulation patterns in roots, stems, and leaves remains limited. In this study, we performed a comparative metabolomic analysis of roots, stems, and leaves collected from the same population, season, and developmental stage using untargeted metabolomics combined with multivariate statistical methods, with five biological replicates per organ. UHPLC-MS/MS identified 1,221 metabolites, dominated by organooxygen compounds, fatty acyls, carboxylic acid derivatives, prenol lipids, and flavonoids. PCA revealed distinct metabolic profiles among the three organs. Analysis of differential metabolites revealed 562, 588, and 526 significant metabolites between roots and stems, roots and leaves, and stems and leaves, respectively. KEGG enrichment identified flavonoid biosynthesis, phenylpropanoid and linoleic acid metabolism as core pathways. These results reveal its organ-specific metabolism and guide rational medicinal and edible use.
These findings collectively support flavanone 3-hydroxylase (F3H) as a candidate regulatory node governing organ-specific flavonoid partitioning in Rhododendron yedoense var.
Lagenaria siceraria (Bottle gourd) is a nutritionally and medicinally valuable plant. However, comprehensive metabolomic profiling across different organs of the plant to uncover key bioactive metabolites linked to the broad biological activities remain unexplored. This study applied untargeted metabolomics to compare methanol extracts from five L. siceraria organs-leaves (LE), unripe fruits (UF), ripe fruits (RF), seeds (SE), and roots (RO)-employing liquid chromatography quadrupole time-of-flight tandem mass spectrometry (LC-QTOF-MS/MS), integrated with molecular networking, and chemometrics. Biological activities of the extracts were evaluated through assays measuring proteolytic enzymes inhibition, cell migration, and antioxidant activity. Ninety-eight metabolites were annotated belonging to flavonoids, phenolic acids, amino acids, fatty acids/amides, phospholipids, and sphingolipids. Hierarchical clustering and PCA revealed distinct organ-specific metabolite profiles. LE constituted higher levels of flavonoid-C-glycosides and phenolic acids, while RO and SE were richer in fatty acids and phospholipids, respectively. OPLS-DA and KEGG analyses identified key metabolic pathways associated with the tested activities. RO, LE, and SE inhibited collagenase activity (IC50 values of 200.6 ± 4.8, 335.2 ± 17.1, and 873.9 ± 44.5 μg/mL, respectively), while LE showed potent elastase inhibition (IC50 = 1.64 ± 0.08 μg/mL), enhanced SOD activity (3.22 ± 0.36 ng/mL), and superior antioxidant potential. All extracts enhanced fibroblast migration within 48 h, with SE and LE achieving increases of 99.7% and 79.8%, respectively. LC-QTOF-MS metabolomic profiling and chemometrics revealed that the inhibition of collagenase and elastase enzymes of L. siceraria organs are closely linked to the presence of flavonoid-C-glycosides, phenolic acids, amino acids, and fatty acids.
Nagham H. Kamal, Fatema R. Saber, Rana M. Ibrahim et al.· Journal of chromatography. B...· 0 citations
Argemone ochroleuca and Argemone mexicana are widespread weed species known for being rich in various secondary metabolites. However, a comprehensive understanding of their chemical diversity remains limited. Insufficient information exists on metabolite variation between plant parts and the influence of solvent polarity on metabolite recovery. Therefore, this study aimed to characterize the metabolomic profiles of the shoots and root extracts of both species using solvents of varying polarity to evaluate plant part-specific metabolite distribution and solvent effects on metabolome coverage. Untargeted ultra-high-performance liquid chromatography–quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS)-based metabolomics and molecular networking were employed for metabolite analysis. Principal component analysis (PCA) did not reveal clear clustering of A. ochroleuca and A. mexicana, suggesting similarities in their metabolomic profiles. A total of 15 and 13 metabolite classes, yielding 59 and 54 metabolites, were identified in A. ochroleuca and A. mexicana, respectively, including flavonoids, terpenoids, phenolic compounds, fatty acids, and monoterpenoids. Argemone ochroleuca exhibited higher metabolite abundance, particularly in methanol and acetone extracts, and with shoots showing higher abundance than roots, with flavonoids being the dominant class. The findings show that LC-MS metabolomics, molecular networking, and careful solvent selection are effective for identifying key metabolites with potential applications in crop protection.
N. T. Mlombo, F. Makhubu, Z. Dube et al.· Molecules· 0 citations
The molecular basis of terpenoid diversity in MF is revealed, and theoretical references for germplasm discrimination, quality evaluation and genetic improvement of medicinal magnolia resources are provided.
Rui Ma, Hong-Dan Liu, Wei-Meng Feng et al.· Frontiers in Plant Science· 0 citations
Ehretia macrophylla fruit is a traditionally used but underutilized functional resource that is noted for its diverse phytochemical composition, which includes flavonoids and polyphenols. However, the systematic metabolic transformations that occur in the fruit during post-harvest storage—particularly those associated with its traditional processing into dark fruit tea—remain largely unknown, limiting efforts to optimize quality and processing strategies. In the study, to address this gap, we employed a widely targeted metabolomics approach based on ultra-performance liquid chromatography–tandem mass spectrometry (UPLC-MS/MS) to dynamically profile the fruit metabolome across four storage stages (T0, T4, T8, T12). A total of 1101 metabolites were putatively annotated, and day 8 (T8) emerged as a potential pronounced metabolic inflection point. From T8 onward, 30–40% of metabolites showed differential accumulation, characterized by a gradual rise in nutrition-relevant lipids, amino acids, and vitamins. In contrast, key antioxidant-related metabolites, including phenolics and flavonoids, increased transiently before T8 but declined sharply thereafter. These coordinated shifts correlated with an increased representation of lipid- and alkaloid-related metabolic pathways, whereas flavonoid-associated features showed a relative decline. Collectively, these findings provide insights into the biochemical processes potentially associated with fruit blackening and the marked decline in antioxidant capacity during traditional processing. Our study provides the first metabolic blueprint connecting traditional processing practices with phased metabolic remodeling, offering a scientific foundation for quality assessment and the development of informed post-harvest strategies for processing E. macrophylla fruit.
Simple Summary Evodia rutaecarpa (Juss.) Benth. is a classic traditional Chinese medicinal plant with significant pharmacological activities, and its dried fruits are the officially recognized medicinal part. While most existing research focuses on the fruit, the metabolic and transcriptional characteristics of non-medicinal tissues (roots, stems, leaves, and flowers) remain underexplored, which hinders the full utilization of E. rutaecarpa plant resources. To address this gap, we conducted an integrated analysis combining widely targeted metabolomics and transcriptomics to profile the metabolic and transcriptional landscapes across four tissues of E. rutaecarpa. Our results revealed pronounced tissue-specific secondary metabolic differentiation: roots specifically accumulated quinolone alkaloids and flavonoid glycosides, whereas leaves, stems, and flowers preferentially accumulated bioactive indole alkaloids (evodiamine and rutaecarpine). Notably, leaves and flowers exhibited particularly high accumulation levels of these active alkaloids, indicating their potential as alternative sources for industrial and pharmaceutical production. We further identified key candidate structural genes and regulatory gene modules associated with indole alkaloid biosynthesis. Collectively, our findings provide a systematic foundation for the comprehensive utilization of E. rutaecarpa resources and lay a solid groundwork for future metabolic engineering of bioactive indole alkaloids.
Wei-Wei Zhao, Ji-Hua Guo, Tai-Hang Wang et al.· Biology· 0 citations
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