title: Current approaches and challenges for the metabolite profiling of complex natural extracts.
abstract: Metabolite profiling is critical in many aspects of the life sciences, particularly natural product research. Obtaining precise information on the chemical composition of complex natural extracts (metabolomes) that are primarily obtained from plants or microorganisms is a challenging task that requires sophisticated, advanced analytical methods. In this respect, significant advances in hyphenated chromatographic techniques (LC-MS, GC-MS and LC-NMR in particular), as well as data mining and processing methods, have occurred over the last decade. Together, these tools, in combination with bioassay profiling methods, serve an important role in metabolomics for the purposes of both peak annotation and dereplication in natural product research. In this review, a survey of the techniques that are used for generic and comprehensive profiling of secondary metabolites in natural extracts is provided. The various approaches (chromatographic methods: LC-MS, GC-MS, and LC-NMR and direct spectroscopic methods: NMR and DIMS) are discussed with respect to their resolution and sensitivity for extract profiling. In addition the structural information that can be generated through these techniques or in combination, is compared in relation to the identification of metabolites in complex mixtures. Analytical strategies with applications to natural extracts and novel methods that have strong potential, regardless of how often they are used, are discussed with respect to their potential applications and future trends.
authors.affiliation: School of Pharmaceutical Sciences, EPGL, University of Geneva, University of Lausanne, quai Ernest-Ansermet 30, CH-1211 Geneva 4, Switzerland. Electronic address: jean-luc.wolfender@unige.ch.
authors.forename: Jean-Luc
authors.initials: JL
authors.lastname: Wolfender
authors.affiliation: School of Pharmaceutical Sciences, EPGL, University of Geneva, University of Lausanne, quai Ernest-Ansermet 30, CH-1211 Geneva 4, Switzerland; Université de Toulouse, UPS, UMR 152 Pharma-DEV, Institut de Recherche et Développement (IRD), Université Toulouse 3, Faculté des Sciences Pharmaceutiques, F-31062 Toulouse cedex 09, France.
authors.forename: Guillaume
authors.initials: G
authors.lastname: Marti
authors.affiliation: Unit of Toxicology, CURML, University of Lausanne, Bugnon Street 21, 1011 Lausanne, Switzerland.
authors.forename: Aurélien
authors.initials: A
authors.lastname: Thomas
authors.affiliation: School of Pharmaceutical Sciences, EPGL, University of Geneva, University of Lausanne, quai Ernest-Ansermet 30, CH-1211 Geneva 4, Switzerland; Groupe Mer, Molécules, Santé-EA 2160, UFR des Sciences Pharmaceutiques et Biologiques, Université de Nantes, 9 rue Bias, BP 53508, F-44035 Nantes Cedex 01, France.
authors.forename: Samuel
authors.initials: S
authors.lastname: Bertrand
mesh_terms: D001688:Biological Products / Q000737:chemistry*; D002853:Chromatography, Liquid; D013058:Mass Spectrometry; D055432:Metabolomics / Q000639:trends*; D010944:Plants / Q000737:chemistry
chemical_list: D001688:Biological Products
keywords: Liquid chromatography; Mass spectrometry and NMR; Metabolite annotation and identification; Metabolite profiling and fingerprinting; Metabolomics; Natural products