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Peer-reviewedCC BY 4.0Chemistry & Biodiversity

Metabolite Profile and Biological Activities of Zanthoxylum nemorale: A Metabolomic and Multivariate Statistical Analysis Study

  • Victor S. A. de Lira1
  • Floricéa M. Araújo1
  • Rodrigo N. Santos2
  • Lourdes C. Souza‐Neta2
  • Leonardo Zambotti‐Villela3
  • Pio Colepicolo3
  • Lidyanne Y. S. Aona4
  • Paulo R. Ribeiro1
4 affiliations
  1. 1Metabolomics Research Group, Instituto de Química Universidade Federal da Bahia Salvador Brazil
  2. 2Departamento de Ciências Exatas e da Terra I Universidade do Estado da Bahia Salvador Brazil
  3. 3Departamento de Bioquímica, Instituto de Química Universidade de São Paulo São Paulo Brazil
  4. 4Federal University of Recôncavo da Bahia Cruz das Almas Bahia Brazil
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Abstract

This study investigated the metabolite profile and biological activities of Zanthoxylum nemorale leaf and stem extracts obtained using hexane, ethyl acetate, and methanol by combining untargeted LC‐HRMS metabolomics, multivariate statistical analysis, antioxidant, and antimicrobial assays. A total of 112 metabolites were putatively identified, including coumarins, lignans, flavonoids, alkaloids, phenolic acids, terpenoids, and fatty acids. Methanol extracts exhibited the strongest antioxidant activity, with IC50 values of 53.12 ± 1.11 and 60.70 ± 0.28 µg mL− 1 for stem and leaf extracts, respectively, and showed the highest antibacterial activity against Staphylococcus aureus and Bacillus cereus. Chemometric analyses (PCA, PLS‐DA, and hierarchical clustering) clearly discriminated the extracts according to plant organ and solvent polarity. Overall, the extracts were more effective against Gram‐positive bacteria than Gram‐negative bacteria and fungi. These findings highlight Z. nemorale as a promising source of antioxidant and antimicrobial phytochemicals and demonstrate the value of metabolomics for linking chemical composition with biological activity.

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Cite

BibTeXRIS
BibTeX
@article{lira2026metabolite,
  title = {{Metabolite Profile and Biological Activities of Zanthoxylum nemorale: A Metabolomic and Multivariate Statistical Analysis Study}},
  author = {Victor S. A. de Lira and Floricéa M. Araújo and Rodrigo N. Santos and Lourdes C. Souza‐Neta and Leonardo Zambotti‐Villela and Pio Colepicolo and Lidyanne Y. S. Aona and Paulo R. Ribeiro},
  journal = {Chemistry \& Biodiversity},
  year = {2026},
  month = oct,
  doi = {10.1002/cbdv.71883},
  url = {https://doi.org/10.1002/cbdv.71883},
  note = {CC BY 4.0},
}
RIS
TY  - JOUR
TI  - Metabolite Profile and Biological Activities of Zanthoxylum nemorale: A Metabolomic and Multivariate Statistical Analysis Study
AU  - Victor S. A. de Lira
AU  - Floricéa M. Araújo
AU  - Rodrigo N. Santos
AU  - Lourdes C. Souza‐Neta
AU  - Leonardo Zambotti‐Villela
AU  - Pio Colepicolo
AU  - Lidyanne Y. S. Aona
AU  - Paulo R. Ribeiro
PY  - 2026
DA  - 2026/10/27
JO  - Chemistry & Biodiversity
DO  - 10.1002/cbdv.71883
UR  - https://doi.org/10.1002/cbdv.71883
AB  - This study investigated the metabolite profile and biological activities of Zanthoxylum nemorale leaf and stem extracts obtained using hexane, ethyl acetate, and methanol by combining untargeted LC‐HRMS metabolomics, multivariate statistical analysis, antioxidant, and antimicrobial assays. A total of 112 metabolites were putatively identified, including coumarins, lignans, flavonoids, alkaloids, phenolic acids, terpenoids, and fatty acids. Methanol extracts exhibited the strongest antioxidant activity, with IC50 values of 53.12 ± 1.11 and 60.70 ± 0.28 µg mL− 1 for stem and leaf extracts, respectively, and showed the highest antibacterial activity against Staphylococcus aureus and Bacillus cereus. Chemometric analyses (PCA, PLS‐DA, and hierarchical clustering) clearly discriminated the extracts according to plant organ and solvent polarity. Overall, the extracts were more effective against Gram‐positive bacteria than Gram‐negative bacteria and fungi. These findings highlight Z. nemorale as a promising source of antioxidant and antimicrobial phytochemicals and demonstrate the value of metabolomics for linking chemical composition with biological activity.
SN  - 1612-1872
SN  - 1612-1880
ER  -