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HPLC/HR‐MS‐Based Metabolite Profiling and Chemometrics: A Powerful Approach to Identify Bioactive Compounds from Abarema cochliacarpos
Author(s) -
S. Farias Caroline,
Dias de Cerqueira Martins,
Colepicolo Pio,
ZambottiVillela Leonardo,
Fernandez Luzimar G.,
Ribeiro Paulo R.
Publication year - 2021
Publication title -
chemistry and biodiversity
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.427
H-Index - 70
eISSN - 1612-1880
pISSN - 1612-1872
DOI - 10.1002/cbdv.202100055
Subject(s) - chemistry , chemometrics , metabolite , metabolite profiling , chromatography , terpenoid , antioxidant , lipidomics , chemical composition , secondary metabolite , metabolomics , organic chemistry , biochemistry , gene
Abstract Despite its importance as a medicinal plant, there is a lack of studies that assessed the chemical composition of A. cochliacarpos extracts. Herein, we used a metabolite profiling approach and chemometrics as a powerful strategy to correlate the chemical composition with the antioxidant activity of A. cochliacarpos extracts. Extracts obtained with ethyl acetate showed greater antioxidant activity and higher total phenolic content than extracts obtained with hexane. The chemical composition was assessed by HPLC/HR‐MS and it encompassed fatty alcohols, terpenoids, phenolic derivatives, lipids, carotenoid‐like compounds, alkaloids, flavonoids, polyketides, and glycerophospholipids. Chemometrics successfully differentiated not only the chemical composition of extracts in response to the nature of the extraction solvent and the botanical part used during extraction but also it allowed us to associate the chemical composition with the antioxidant activity of the extracts, which might be particularly helpful for drug discovery and development programs.