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Studying Plant Specialized Metabolites Using Computational Metabolomics Strategies

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Plant Functional Genomics

Part of the book series: Methods in Molecular Biology ((MIMB,volume 2788))

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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.

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Acknowledgments

T.P. is supported by the Czech Science Foundation (GA CR) grant 21-11563 M and by the European Union’s Horizon 2020 research and innovation program under the Marie Skłodowska-Curie grant agreement 891397. L.M. is co-financed by the Governments of Czechia, Hungary, Poland, and Slovakia through Visegrad Grant 52210524 from the International Visegrad Fund. We would like to thank Fred Rooks for editing this manuscript. Figures were created using https://biorender.com. J.J.J.v.d.H. declares that he is member of the Scientific Advisory Board of NAICONS Srl., Milano, Italy, and consulting for Corteva Agriscience, Indianapolis, IN, USA.

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Authors and Affiliations

  1. Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Prague, Czechia

    Lana Mutabdžija, Tito Damiani, Robin Schmid & Tomáš Pluskal

  2. Department of Genetics and Microbiology, Faculty of Science, Charles University, Prague, Czechia

    Lana Mutabdžija

  3. Department of Biochemistry, University of Johannesburg, Johannesburg, South Africa

    Akhona Myoli, Justin J. J. van der Hooft & Fidele Tugizimana

  4. Bioinformatics Group, Wageningen University & Research, Wageningen, the Netherlands

    Niek F. de Jonge & Justin J. J. van der Hooft

  5. International Research and Development Division, Omnia Group, Ltd, Johannesburg, South Africa

    Fidele Tugizimana

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  1. Lana Mutabdžija
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  2. Akhona Myoli
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  3. Niek F. de Jonge
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  4. Tito Damiani
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  5. Robin Schmid
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  6. Justin J. J. van der Hooft
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  7. Fidele Tugizimana
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  8. Tomáš Pluskal
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Correspondence to Tomáš Pluskal .

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Editors and Affiliations

  1. Plant Functional Genomics Lab, Institute of Molecular Biotechnology, Department of Biotechnology, University of Natural Resources and Life Sciences (BOKU), Vienna, Austria

    Fatemeh Maghuly

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Mutabdžija, L. et al. (2024). Studying Plant Specialized Metabolites Using Computational Metabolomics Strategies. In: Maghuly, F. (eds) Plant Functional Genomics. Methods in Molecular Biology, vol 2788. Humana, New York, NY. https://doi.org/10.1007/978-1-0716-3782-1_7

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  • DOI: https://doi.org/10.1007/978-1-0716-3782-1_7

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  • Publisher Name: Humana, New York, NY

  • Print ISBN: 978-1-0716-3781-4

  • Online ISBN: 978-1-0716-3782-1

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