Research

Julio E. Peironcely at Google Scholar

PhD student at Leiden University, The Netherlands

Project: Identification of unknown metabolites, structure generation and candidate rejection.

Promotor: Prof. Dr. Thomas Hankemeier

Copromotors: Dr. Leon Coulier (TNO, Zeist), Dr. Theo Reijmers

Sponsors: Netherlands Metabolomics Centre, TNO Quality of Life

Metabolite identification is one the most important issues in metabolomics research for which no general methodology exists at the moment. Successful identification of metabolites will have a major impact on biomarker and omics-research. In this project a new strategy is proposed for metabolite identification by developing and applying rule- and algorithm-based methodologies together with biology- and chemistry-based constraints. This project integrates various tools developed other core projects within the Netherlands Metabolomics Centre. New tools will be developed for the generation of candidate metabolite structures for metabolites detected by MS-based methods, using information about substructures, metabolite class and biochemical and physicochemical parameters. A top down approach will be used starting from the possible elemental compositions obtained from high resolution MS data. Chemoinformatic analyses of the metabolite space will yield useful information to accept or reject candidate structures, together with the use of metabolite databases, substructure information from MSn data, NMR information, and physical and (bio) chemical constraints.

Publications

2011

metabolite likeness 300x294 Research

Peironcely, Julio E; Reijmers, Theo; Coulier, Leon; Bender, Andreas; Hankemeier, Thomas

Understanding and Classifying Metabolite Space and Metabolite-Likeness (Article)

PLoS ONE, 6, 12, Page(s): e28966, 2011.
Chemogenomics Approaches for Receptor Deorphanization and Extensions of the Chemogenomics Concept to Phenotypic Space1 300x176 Research

Horst, Eelke Van Der; Peironcely, Julio E; Westen, Gerard Van J P; Hoven, Olaf Van Den O; Galloway, Warren R J D; Spring, David R; Wegner, Joerg K; Vlijmen, Herman Van W T; Ijzerman, Ad P; Overington, John P; Bender, Andreas

Chemogenomics Approaches for Receptor Deorphanization and Extensions of the Chemogenomics Concept to Phenotypic Space (Article)

Curr. Top. Med. Chem., 44, 1223, 2011.

2010

A novel chemogenomics analysis of G protein coupled receptors GPCRs and their ligands a potential strategy for receptor de orphanization 295x300 Research

van der Horst, Eelke; Peironcely, Julio E; Ijzerman, Adriaan P; Beukers, Margot W; Lane, Jonathan R; van Vlijmen, Herman W T; Emmerich, Michael T M; Okuno, Yasushi; Bender, Andreas

A novel chemogenomics analysis of G protein-coupled receptors (GPCRs) and their ligands: a potential strategy for receptor de-orphanization (Article)

BMC bioinformatics, 11, Page(s): 316, 2010.

2009

Chemogenomics Looking at Biology through the Lens of Chemistry 300x128 Research

Doddareddy, Munikumar R; Westen, Gerard Van J P; Horst, Eelke Van Der; Peironcely, Julio E; Ijzerman, Adriaan P; Emmerich, Michael; Jenkins, Jeremy L; Bender, Andreas

Chemogenomics : Looking at Biology through the Lens of Chemistry (Article)

Statistical Analysis and Data Mining, 2, Page(s): 149-160, 2009.

 

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