UPLC-MS for metabolomics: a giant step forward in support of pharmaceutical research - PubMed (original) (raw)

Review

UPLC-MS for metabolomics: a giant step forward in support of pharmaceutical research

Ala F Nassar et al. Drug Discov Today. 2017 Feb.

Abstract

Metabolomics is a relatively new and rapidly growing area of post-genomic biological research. As use of metabolomics technology grows throughout the spectrum of drug discovery and development, and its applications broaden, its impact is expanding dramatically. This review seeks to provide the reader with a brief history of the development of metabolomics, its significance and strategies for conducting metabolomics studies. The most widely used analytical tools for metabolomics: NMR, LC-MS and GC-MS, are discussed along with considerations for their use. Herein, we will show how metabolomics can assist in pharmaceutical research studies, such as pharmacology and toxicology, and discuss some examples of the importance of metabolomics analysis in research and development.

Copyright © 2016 Elsevier Ltd. All rights reserved.

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Conflict of interest statement

Conflicts of interest

The authors declare no conflict of interest.

Figures

Figure 1

Figure 1

Urine Wheel for diagnosing metabolic diseases, from Epiphanie Medicorum by Ullrich Pinder, 1506. Reproduced, with permission, from Scientific American Blog Network

http://blogs.scientificamerican.com/oscillator/the-urine-wheel/

.

Figure 2

Figure 2

Metabolomic workflow. Global profiling summarizes the experimental design with respect to metabolism quenching and global LC–MS profiling of different sample groups. LC–MS data acquisition is followed by retention time correction for chromatogram alignment and visualization of dysregulated metabolite features. Metabolite features where levels were significantly changed in disease vs control samples are then filtered out and identified by MS/MS matching. The identified metabolites are quantified by targeted multiple reaction monitoring (MRM) analysis using standard compounds. Reproduced, with permission, from permission from [14].

Figure 3

Figure 3

Changes in lipid metabolites induced by occupational allergen. U937 cells were incubated with hexemethylene diisocyanate (HDI)-conjugated human serum albumin for 48 h and the levels of different lipid metabolites were expressed as a ratio relative to control samples. Each dot represents a different lipid metabolite: 1–17 (ceramides); 18–24 (diglycerides); 25–37 (lysophosphatidylcholine); 38 (monoacylglyceride); 39–152 (phosphatidyl choline); 153–222 (phosphoethanolamine); 223–224 (phosphoglycerols); 225–235 (phosphatidylinositol); 236–238 (phosphoserines); 239–257 (phosphosphingolipids); 257–472 (triglycerides).

Figure 4

Figure 4

Changes in polar metabolites induced by occupational allergen. U937 cells were incubated with hexemethylene diisocyanate (HDI)-conjugated human serum albumin for 48 h and the levels of different polar metabolites were expressed as a ratio relative to control samples. Each dot represents a different polar metabolite. Note the increase in guanosine and carnosine and decrease in ribose-1-phosphate.

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