LC-HRMS/MS-based metabolomics approaches applied to the detection of antifungal compounds and a metabolic dynamic assessment of orchidaceae
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2022-11-16
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The liquid chromatography–mass spectrometry (LC-MS)-based metabolomics approach
is a powerful technology for discovering novel biologically active molecules. In this study, we
investigated the metabolic profiling of Orchidaceae species using LC-HRMS/MS data combined with
chemometric methods and dereplication tools to discover antifungal compounds. We analyze twenty
ethanolic plant extracts from Vanda and Cattleya (Orchidaceae) genera. Molecular networking and
chemometric methods were used to discriminate ions that differentiate healthy and fungal-infected
plant samples. Fifty-three metabolites were rapidly annotated through spectral library matching and
in silico fragmentation tools. The metabolomic profiling showed a large production of polyphenols,
including flavonoids, phenolic acids, chromones, stilbenoids, and tannins, which varied in relative
abundance across species. Considering the presence and abundance of metabolites in both groups of
samples, we can infer that these constituents are associated with biochemical responses to microbial
attacks. In addition, we evaluated the metabolic dynamic through the synthesis of stilbenoids in
fungal-infected plants. The tricin derivative flavonoid- and the loliolide terpenoidfound only in
healthy plant samples, are promising antifungal metabolites. LC-HRMS/MS, combined with stateof-the-art tools, proved to be a rapid and reliable technique for fingerprinting medicinal plants and
discovering new hits and leads.
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Liquid chromatography–mass spectrometry, Untargeted metabolomics, Metabolic dynamic, Antifungal compounds
Citação
LIMA, Gesiane S. et al. LC-HRMS/MS-based metabolomics approaches applied to the detection of antifungal compounds and a metabolic dynamic assessment of orchidaceae. Molecules, Basel, v. 27, n. 22, e7937, Nov. 2022. DOI: 10.3390/molecules27227937. Disponível em: https://www.mdpi.com/1420-3049/27/22/7937. Acesso em: 17 maio 2023.