Desreplicação do produto metabólico do extrato do fungo Diaporthe phaseolorum baseada em redes moleculares

Abstract

The aim of this study is to investigate the metabolome of the fungal extract of Diaporthe phaseolorum species. Therefore, molecular networks by the GNPS platform were used to achieve the fungal metabolic profile, acquired using LC-MS/MS technique. In this work, molecular networks showed annotations of 22 molecular families, including Prenol lipids (Terpenoids and Fatty acids), Benzenoids and derivatives, Organoheterocyclic and Nucleosides. Among the total access observed, 36 metabolites with spectral reference were confirmed as Alismol, Farnesol, Conjugated linoleic acid, Tyramine, N-Acetyl-tyramine, 5-metohoxyindole-3-carbaldehyde, 6 pentyl-2H-pyran-2-one, Adenosine. To improve the annotation coverage the MolNetEnhancer workflow tool was used and the classification of 68 nodes were incremented. Therefore, this work represents valuable information about the fungal metabolome, emphasizing secondary metabolites produced by mevalonate, acetate and shikimate biosynthetic pathways, contributing to the knowledge of the chemical profile of this species still poorly studied.