Use of reconstituted metabolic networks to assist in metabolomic data visualization and mining

Jourdan, F., Cottret, L., Huc, L., Wildridge, D., Scheltema, R., Hillenweck, A., Barrett, M.P. , Zalko, D., Watson, D. G. and Debrauwer, L. (2010) Use of reconstituted metabolic networks to assist in metabolomic data visualization and mining. Metabolomics, 6(2), pp. 312-321. (doi:10.1007/s11306-009-0196-9)

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Publisher's URL: http://dx.doi.org/10.1007/s11306-009-0196-9

Abstract

Metabolomics experiments seldom achieve their aim of comprehensively covering the entire metabolome. However, important information can be gleaned even from sparse datasets, which can be facilitated by placing the results within the context of known metabolic networks. Here we present a method that allows the automatic assignment of identified metabolites to positions within known metabolic networks, and, furthermore, allows automated extraction of sub-networks of biological significance. This latter feature is possible by use of a gap-filling algorithm. The utility of the algorithm in reconstructing and mining of metabolomics data is shown on two independent datasets generated with LC–MS LTQ-Orbitrap mass spectrometry. Biologically relevant metabolic sub-networks were extracted from both datasets. Moreover, a number of metabolites, whose presence eluded automatic selection within mass spectra, could be identified retrospectively by virtue of their inferred presence through gap filling

Item Type:Articles
Status:Published
Refereed:Yes
Glasgow Author(s) Enlighten ID:Barrett, Professor Michael
Authors: Jourdan, F., Cottret, L., Huc, L., Wildridge, D., Scheltema, R., Hillenweck, A., Barrett, M.P., Zalko, D., Watson, D. G., and Debrauwer, L.
College/School:College of Medical Veterinary and Life Sciences > Institute of Infection Immunity and Inflammation
Journal Name:Metabolomics
ISSN:1573-3882

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Project CodeAward NoProject NamePrincipal InvestigatorFunder's NameFunder RefLead Dept
522081The silicon trypanosome (SilicoTryp)Michael BarrettBiotechnology and Biological Sciences Research Council (BBSRC)BB/I004599/1Infection Immunity and Inflammation Life Sciences