dos Santos, Gabriel F., Lima, Nerilson M., Lima, Gesiane S., Roque, Jussara V., Preet, Gagan, Oppong-Danquah, Ernest , Andrade, Teresinha J.A.S., Jaspars, Marcel and Vaz, Boniek Gontijo (2023) Mass spectrometry-based untargeted metabolomics approaches for comprehensive structural annotation of bioactive metabolites from bushy cashew (Anacardium humile) fruits. South African Journal of Botany, 163 . pp. 121-134. DOI 10.1016/j.sajb.2023.10.030.

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Abstract

Anacardium humile (bushy cashew) is a native Brazilian plant with substantial pharmacological potential and noteworthy commercial significance in the food industry. This study introduces an untargeted metabolomics approach based on mass spectrometry for the comprehensive structural annotation of bioactive metabolites. The fruits were collected from three distinct sites and subjected to LC-HRMS/MS analysis. A total of eighty-eight compounds were putatively annotated across various metabolite classes. This unveiled a metabolic pro-file characterized by notable concentrations of polyphenols, including flavonoids, tannins, phenolic acids, and quinones, while aliphatic acids and terpenes were found in limited quantities. Noteworthy, no significant disparities in the metabolic content were observed among the collection sites. The three principal metabolites (peonidin 3-O-glucopyranoside, methylcyanidin and methyldelphinidin) underwent assessment for antioxidant activity via molecular docking analysis, subsequently generating structure-based feature pharmaco-phores. The process of annotation propagation yielded a comprehensive qualitative appraisal of the A. humile metabolome. The outcomes obtained offer potential candidates for further exploration of their nutraceutical attributes.(c) 2023 Published by Elsevier B.V. on behalf of SAAB.

Document Type:	Article
Keywords:	Anacardium humile; bushy cashew; food chemistry; mass spectrometry; untargeted metabolomics; molecular networking; molecular docking; pharmacophore
Research affiliation:	OceanRep > GEOMAR > FB3 Marine Ecology > FB3-MN Marine natural products chemistry
Main POF Topic:	PT6: Marine Life
Refereed:	Yes
Open Access Journal?:	No
Publisher:	Elsevier
Related URLs:	Web of Science
Date Deposited:	07 Dec 2023 14:16
Last Modified:	07 Feb 2024 15:40
URI:	https://oceanrep.geomar.de/id/eprint/59587

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