(1)H NMR Metabolomic Footprinting Analysis for the In Vitro Screening of Potential Chemopreventive Agents

Methods Mol Biol. 2016:1379:89-97. doi: 10.1007/978-1-4939-3191-0_8.

Abstract

Metabolomics is the quantification and analysis of the concentration profiles of low-molecular-weight compounds present in biological samples. In particular metabolic footprinting analysis, based on the monitoring of metabolites consumed from and secreted into the growth medium, is a valuable tool for the study of pharmacological and toxicological effects of drugs. Mass spectrometry and nuclear magnetic resonance (NMR) are the two main complementary techniques used in this field. Although less sensitive, NMR gives a direct fingerprint of the system, and the spectra obtained contain metabolic information that can be distilled by chemometric techniques. In this chapter, we present how metabolomic footprinting can be used to assess in vitro a potential chemopreventive molecule as metformin.

Keywords: Chemoprevention; Euclidean distance; Footprinting analysis; Metabolomics; NMR spectroscopy; Principal component analysis.

MeSH terms

  • Analytic Sample Preparation Methods
  • Cell Line, Tumor
  • Chemoprevention*
  • Data Interpretation, Statistical
  • Drug Evaluation, Preclinical / methods*
  • Humans
  • Magnetic Resonance Spectroscopy
  • Metabolomics / methods*