Targeted Metabolite Profiling-Based Identification of Antifungal 5--Alkylresorcinols Occurring in Different Cereals against .

A rapid and convenient biochemometrics-based analysis of several cereal-derived extracts was used to identify -alkyl(enyl)resorcinols (AR) as antifungals against . Total AR content and liquid chromatography/mass spectrometry (LC-MS)-based profiles were recorded for each extract, in addition to their antifungal activity, to help integrate these chemical and biological datasets by orthogonal partial least squares regression. In this study, we developed and used a micro-scale amended medium (MSAM) assay to evaluate the in vitro mycelial growth inhibition at low amounts of extracts. Triticale husk-derived extracts had the highest AR content (662.1 µg olivetol equivalent/g dry extract), exhibiting >79% inhibition at the highest doses (10.0⁻1.0 µg/µL). Correlation of the chemical and antifungal datasets using supervised metabolite profiling revealed that 5--nonadecanylresorcinol, 5--heneicosylresorcinol, and 5--tricosyl-resorcinol were the most active ARs occurring in cereal products from Colombia. Hence, we propose the biochemometrics-based approach as a useful tool for identifying AR-like antifungals against .