Studying Plant Specialized Metabolites Using Computational Metabolomics Strategies

Overview

Journal Methods Mol Biol

Specialty Molecular Biology

Date 2024 Apr 24

PMID 38656511

Authors

Lana Mutabdzija

Akhona Myoli

Niek F de Jonge

Tito Damiani

Robin Schmid

Justin J J van der Hooft

Fidele Tugizimana

Tomas Pluskal

Affiliations

Soon will be listed here.

Abstract

Plant specialized metabolites have diversified vastly over the course of plant evolution, and they are considered key players in complex interactions between plants and their environment. The chemical diversity of these metabolites has been widely explored and utilized in agriculture and crop enhancement, the food industry, and drug development, among other areas. However, the immensity of the plant metabolome can make its exploration challenging. Here we describe a protocol for exploring plant specialized metabolites that combines high-resolution mass spectrometry and computational metabolomics strategies, including molecular networking, identification of structural motifs, as well as prediction of chemical structures and metabolite classes.

Citing Articles

Computational metabolomics reveals overlooked chemodiversity of alkaloid scaffolds in Piper fimbriulatum.

Damiani T, Smith J, Hebra T, Perkovic M, cicak M, Kadlecova A Plant J. 2025; 121(5):e70086.

PMID: 40052447 PMC: 11886945. DOI: 10.1111/tpj.70086.

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