title: Automated Detection of Natural Halogenated Compounds from LC-MS Profiles-Application to the Isolation of Bioactive Chlorinated Compounds from Marine-Derived Fungi.
abstract: A collection of culture extracts obtained from several marine-derived fungal strains collected on the French Atlantic coast was investigated by high performance liquid chromatography-high resolution mass spectrometry (HPLC-HRMS) in order to prospect for halogenated compounds and to identify potentially new 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. After extraction of all the peaks from the metabolic fingerprints and their associated mass spectra, a mathematical filter based on mass isotopic profiles allowed the selective detection of halogenated (Cl and Br) molecules. Integrating MeHaloCoA into a dereplication approach allowed the identification of known and new halogenated compounds in a competitive amount of time. Subsequent targeted purification led to the isolation of several chlorinated metabolites, including two new natural products with bioactive potential, griseophenone I and chlorogriseofulvin, from a marine-derived Penicillium canescens strain.
authors.affiliation: University of Nantes , Faculty of Pharmacy, MMS-EA2160, 44035 Nantes, France.|ThalassOMICS, Plateforme Corsaire, Biogenouest , 44035 Nantes, France.
authors.forename: Catherine
authors.initials: C
authors.lastname: Roullier
authors.affiliation: University of Nantes , Faculty of Pharmacy, MMS-EA2160, 44035 Nantes, France.|ThalassOMICS, Plateforme Corsaire, Biogenouest , 44035 Nantes, France.
authors.forename: Yann
authors.initials: Y
authors.lastname: Guitton
authors.affiliation: University of Nantes , Faculty of Pharmacy, MMS-EA2160, 44035 Nantes, France.
authors.forename: Marine
authors.initials: M
authors.lastname: Valery
authors.affiliation: Molécules de Communication et Adaptation des Micro-organismes, UMR 7245 MNHN/CNRS, Muséum National d'Histoire Naturelle , 75231 Paris Cedex 05, France.
authors.forename: Séverine
authors.initials: S
authors.lastname: Amand
authors.affiliation: Molécules de Communication et Adaptation des Micro-organismes, UMR 7245 MNHN/CNRS, Muséum National d'Histoire Naturelle , 75231 Paris Cedex 05, France.
authors.forename: Soizic
authors.initials: S
authors.lastname: Prado
authors.affiliation: University of Nantes , Faculty of Pharmacy, MMS-EA2160, 44035 Nantes, France.
authors.forename: Thibaut
authors.initials: T
authors.lastname: Robiou du Pont
authors.affiliation: University of Nantes , Faculty of Pharmacy, MMS-EA2160, 44035 Nantes, France.|ThalassOMICS, Plateforme Corsaire, Biogenouest , 44035 Nantes, France.
authors.forename: Olivier
authors.initials: O
authors.lastname: Grovel
authors.affiliation: University of Nantes , Faculty of Pharmacy, MMS-EA2160, 44035 Nantes, France.|ThalassOMICS, Plateforme Corsaire, Biogenouest , 44035 Nantes, France.
authors.forename: Yves François
authors.initials: YF
authors.lastname: Pouchus
mesh_terms: D001688:Biological Products / Q000032:analysis* / Q000378:metabolism; D002851:Chromatography, High Pressure Liquid / Q000379:methods; D005658:Fungi / Q000737:chemistry* / Q000378:metabolism; D054879:Halogenation; D006843:Hydrocarbons, Chlorinated / Q000032:analysis* / Q000378:metabolism; D013058:Mass Spectrometry / Q000379:methods; D055442:Metabolome; D055432:Metabolomics / Q000379:methods; D010407:Penicillium / Q000737:chemistry / Q000378:metabolism
chemical_list: D001688:Biological Products; D006843:Hydrocarbons, Chlorinated