Integrated GC-MS and LC-MS Metabolomics Reveals Antibacterial-Associated Chemical Signatures in Piper Peltatum
5 affiliations
- 1Laboratorio de Productos Naturales, Universidad Regional Amazónica Ikiam, Km7 Via Muyuna, Tena 150101, Ecuador
- 2Laboratorio de Biología Molecular y Bioquímica, Universidad Regional Amazónica Ikiam, Km 7 Via Muyuna, Tena 150101, Ecuador
- 3Universidad Regional Amazónica Ikiam, Km7 Via Muyuna, Tena 150101, Ecuador
- 4Biomass to Resources, Universidad Regional Amazónica Ikiam, Km7 Via Muyuna, Tena 150101, Ecuador
- 5Biomolecules Discovery Group, Universidad Regional Amazónica Ikiam, Km7 Via Muyuna, Tena 150101, Ecuador
Abstract
Piper peltatum is an Amazonian medicinal plant with reported antibacterial properties, but the chemical basis of this activity remains poorly characterized. This study evaluated how extraction solvent and leaf drying influence the antibacterial activity and metabolomic profile of P. peltatum. Fresh and oven-dried leaves were extracted with water or methanol and analyzed by GC-MS and LC-MS/MS, followed by integrated multivariate and differential analyses, metadata-based feature networking, and molecular docking. Antibacterial activity was assessed by MIC and MBC assays. A total of 31 metabolites were putatively annotated at MSI level 2 across both analytical platforms. Only the methanolic extracts showed antibacterial activity: the dried-leaf extract was the most active against Bacillus subtilis (MIC 0.06 mg/mL; MBC 0.12 mg/mL), whereas the fresh-leaf extract was the most active against Staphylococcus aureus (MIC 1.95 mg/mL; MBC > 7.81 mg/mL). Integrated metabolomics clearly separated aqueous from methanolic extracts and distinguished fresh from dried methanolic samples, revealing drying-associated differences in relative metabolomic signals within the methanolic fraction. Docking suggested S. aureus DHFR as a testable target, whereas the FtsZ interdomain-cleft result depended on receptor conformation and was inconclusive. Overall, the results indicate that solvent selection and drying reshape the chemical matrix of P. peltatum and provide candidates for subsequent bioactivity-guided and target-specific validation.
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BibTeX
@article{garzon2026integrated,
title = {{Integrated GC-MS and LC-MS Metabolomics Reveals Antibacterial-Associated Chemical Signatures in Piper Peltatum}},
author = {Thomas Garzón and Nina Espinosa de los Monteros-Silva and Anghelo Fabrizzio Alava-Santacruz and Leysmar Parra-Guzmán and Katterine Olalla-Tacuri and Melanie Ochoa-Ocampo and Zulay Niño-Ruíz and Carolina Proaño-Bolaños and Karel Dieguez-Santana and Noroska G. S. Mogollón},
journal = {Biomolecules},
year = {2026},
month = oct,
doi = {10.3390/biom16111553},
url = {https://www.mdpi.com/2218-273X/16/11/1553},
note = {CC BY 4.0},
}
RIS
TY - JOUR
TI - Integrated GC-MS and LC-MS Metabolomics Reveals Antibacterial-Associated Chemical Signatures in Piper Peltatum
AU - Thomas Garzón
AU - Nina Espinosa de los Monteros-Silva
AU - Anghelo Fabrizzio Alava-Santacruz
AU - Leysmar Parra-Guzmán
AU - Katterine Olalla-Tacuri
AU - Melanie Ochoa-Ocampo
AU - Zulay Niño-Ruíz
AU - Carolina Proaño-Bolaños
AU - Karel Dieguez-Santana
AU - Noroska G. S. Mogollón
PY - 2026
DA - 2026/10/24
JO - Biomolecules
DO - 10.3390/biom16111553
UR - https://www.mdpi.com/2218-273X/16/11/1553
AB - Piper peltatum is an Amazonian medicinal plant with reported antibacterial properties, but the chemical basis of this activity remains poorly characterized. This study evaluated how extraction solvent and leaf drying influence the antibacterial activity and metabolomic profile of P. peltatum. Fresh and oven-dried leaves were extracted with water or methanol and analyzed by GC-MS and LC-MS/MS, followed by integrated multivariate and differential analyses, metadata-based feature networking, and molecular docking. Antibacterial activity was assessed by MIC and MBC assays. A total of 31 metabolites were putatively annotated at MSI level 2 across both analytical platforms. Only the methanolic extracts showed antibacterial activity: the dried-leaf extract was the most active against Bacillus subtilis (MIC 0.06 mg/mL; MBC 0.12 mg/mL), whereas the fresh-leaf extract was the most active against Staphylococcus aureus (MIC 1.95 mg/mL; MBC > 7.81 mg/mL). Integrated metabolomics clearly separated aqueous from methanolic extracts and distinguished fresh from dried methanolic samples, revealing drying-associated differences in relative metabolomic signals within the methanolic fraction. Docking suggested S. aureus DHFR as a testable target, whereas the FtsZ interdomain-cleft result depended on receptor conformation and was inconclusive. Overall, the results indicate that solvent selection and drying reshape the chemical matrix of P. peltatum and provide candidates for subsequent bioactivity-guided and target-specific validation.
SN - 2218-273X
ER -