Bioinformatics tools for the analysis of NMR metabolomics studies focused on the identification of clinically relevant biomarkers

Briefings in Bioinformatics
Leonor Puchades-CarrascoAntonio Pineda-Lucena

Abstract

Metabolomics, a systems biology approach focused on the global study of the metabolome, offers a tremendous potential in the analysis of clinical samples. Among other applications, metabolomics enables mapping of biochemical alterations involved in the pathogenesis of diseases, and offers the opportunity to noninvasively identify diagnostic, prognostic and predictive biomarkers that could translate into early therapeutic interventions. Particularly, metabolomics by Nuclear Magnetic Resonance (NMR) has the ability to simultaneously detect and structurally characterize an abundance of metabolic components, even when their identities are unknown. Analysis of the data generated using this experimental approach requires the application of statistical and bioinformatics tools for the correct interpretation of the results. This review focuses on the different steps involved in the metabolomics characterization of biofluids for clinical applications, ranging from the design of the study to the biological interpretation of the results. Particular emphasis is devoted to the specific procedures required for the processing and interpretation of NMR data with a focus on the identification of clinically relevant biomarkers.

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Citations

Jan 18, 2019·Hormone Molecular Biology and Clinical Investigation·Gabriel CarneiroGustavo Monnerat
Jun 18, 2017·Electrophoresis·Biswapriya B MisraDmitry Grapov
Nov 3, 2020·Computational and Structural Biotechnology Journal·Yotsawat PomyenSakda Khoomrung
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Jan 29, 2021·Comprehensive Reviews in Food Science and Food Safety·Pavel A SolovyevFederica Camin
Apr 19, 2021·Briefings in Bioinformatics·Jianbo FuFeng Zhu
Jan 21, 2017·Analytical Chemistry·G A Nagana Gowda, Daniel Raftery

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