Metabolic classification of South American Ilex species by NMR-based metabolomics

• Autores: Kim, Hye Kyong; Saifullah; Khan, Saifullah A.Jamil; Wilson, Erica Georgina; Prat Kricun, Sergio; Meissner, Axel; Göraler, Sibel; Deelder, André Martien; Choi, Young-hae; Verpoorte, Robert
• Año de publicación: 2010
• Idioma: inglés
• Tipo de recurso: artículo
• Fuente: Phytochemistry 71 (7) : 773-784 (May 2010)
• Materia: Ilex; Ilex paraguariensis; Variedades; Metabolismo; Espectroscopia RMN; Quimiotaxonomía; Varieties; Metabolism; NMR Spectroscopy; Chemotaxonomy; South America; América del Sur; Espectroscopia Resonancia Magnética Nuclear
• Institución: Instituto Nacional de Tecnología Agropecuaria

The genus Ilex to which mate (Ilex paraguariensis) belongs, consists of more than 500 species. A wide range of metabolites including saponins and phenylpropanoids has been reported from Ilex species. However, despite the previous works on the Ilex metabolites, the metabolic similarities between species which can be used for chemotaxonomy of the species are not clear yet. In this study, nuclear magnetic resonance (NMR) spectroscopy-based metabolomics was applied to the classification of 11 South American Ilex species, namely, Ilex argentina, Ilex brasiliensis, Ilex brevicuspis, Ilex dumosa var. dumosa, I. dumosa var. guaranina, Ilex integerrima, Ilex microdonta, I. paraguariensis var. paraguariensis, Ilex pseudobuxus, Ilex taubertiana, and Ilex theezans. 1H NMR combined with principal component analysis (PCA), partial least square-discriminant analysis (PLS-DA) and hierarchical cluster analysis (HCA) showed a clear separation between species and resulted in four groups based on metabolomic similarities. The signal congestion of 1H NMR spectra was overcome by the implementation of two-dimensional (2D)-J-resolved and heteronuclear single quantum coherence (HSQC). From the results obtained by 1D- and 2D-NMR-based metabolomics it was concluded that species included in group A (I. paraguariensis) were metabolically characterized by a higher amount of xanthines, and phenolics including phenylpropanoids and flavonoids; group B (I. dumosa var. dumosa and I. dumosa var. guaranina) with oleanane type saponins; group C (I. brasiliensis, I. integerrima, I. pseudobuxus and I. theezans) with arbutin and dicaffeoylquinic acids, and group D (I. argentina, I. brevicuspis, I. microdonta and I. taubertiana) with the highest level of ursane-type saponins. Clear metabolomic discrimination of Ilex species and varieties in this study makes the chemotaxonomic classification of Ilex species possible.
EEA Cerro Azul
Fil: Kim, Hye Kyong. Leiden University. Institute of Biology. Section Metabolomics. Division of Pharmacognosy; Holanda
Fil: Saifullah. Leiden University. Institute of Biology. Section Metabolomics. Division of Pharmacognosy; Holanda. University of Karachi. International Center for Chemical and Biological Sciences. Research Institute of Chemistry. Biotechnology Wing H.E.J.; Paquistán
Fil: Khan, Saifullah A.Jamil. University of Karachi. International Center for Chemical and Biological Sciences. Research Institute of Chemistry. Biotechnology Wing H.E.J.; Paquistán
Fil: Wilson, Erica Georgina. Leiden University. Institute of Biology. Section Metabolomics. Division of Pharmacognosy; Holanda
Fil: Prat Kricun, Sergio. Instituto Nacional de Tecnología Agropecuaria (INTA). Estación Experimental Agropecuaria Cerro Azul; Argentina
Fil: Meissner, Axel. Leiden University Medical Center. Department of Parasitology; Holanda
Fil: Göraler, Sibel. Leiden University Medical Center. Department of Parasitology; Holanda
Fil: Deelder, André Martien. Leiden University Medical Center. Department of Parasitology; Holanda
Fil: Choi, Young-hae. Leiden University. Institute of Biology. Section Metabolomics. Division of Pharmacognosy; Holanda
Fil: Verpoorte, Robert. Leiden University. Institute of Biology. Section Metabolomics. Division of Pharmacognosy; Holanda