Julio Peironcely

Bio

Julio E. Peironcely studied Computer Science from 2000 to 2006 at Universitat Autonoma de Barcelona (Barcelona, Spain). From 2006 to 2008 he followed a MSc in Bioinformatics at Leiden University (Leiden, The Netherlands) and TU Delft (Delft, The Netherlands). He joined the group of Imaging and Bioinformatics in Leiden under the lead of Fons Verbeek for a 4 months project on microarray profiling. He also conducted an internship of 9 months at the Medicinal Chemistry group under the supervision of Andreas Bender. The project was titled “Chemogenomics Analysis of GPCR Ligands by Molecular Subgraph Mining” and it involved the use of novel chemoinformatic methodologies for the study of GPCR ligands.

PhD Project description

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. 

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