Marine halogenated compound analysis: from an R package to the isolation of new griseophenone derivatives

A collection of culture extracts obtained from several marine-derived fungal strains collected on the French Atlantic coast was investigated by HPLC-HRMS in order to prospect for halogenated compounds and to identify potentially original ones. To achieve a fast, automated and efficient data analysis, a bioinformatics tool named MeHaloCoA (Marine Halogenated Compound Analysis) was developed and included into R as a package. After extraction from the metabolic fingerprints of all the peaks and their associated mass spectra, a mathematical filter based on mass isotopic profiles allowed the selective detection of halogenated molecules. Integrating MeHaloCoA into a dereplication approach allowed the identification of known and new halogenated compounds in a challenging amount of time. Subsequent targeted purification led to the isolation of several halogenated metabolites including two new natural products with bioactive potential.

Acknowledgements: The authors acknowledge the Region des Pays de la Loire for funding of this study through the CHIMIMAR program and the technical platform Corsaire-ThalassOMICS of Biogenouest.

Keywords: Halogenated Natural Products, dereplication, Mass Spectrometry, automated method.

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