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How does metabolomics track small molecules and biochemical pathways in cells?
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bioinformatics
This computerized image of anthrax shows the various structural relationships of seven units within the protein and demonstrates the interaction of a drug (shown in yellow) bound to the protein to block the so-called lethal factor unit. Bioinformatics plays an important role in enabling scientists to predict where a drug molecule will bind within a protein, given the individual structures of the molecules.
Metabolomics tracks small molecules and biochemical pathways by measuring the total complement of metabolites—the chemical substances produced during metabolism—within a cell, tissue, or organism.12
Researchers primarily use two complementary analytical techniques to identify and quantify these substances:
- Mass spectrometry: This technique identifies substances by sorting gaseous ions according to their mass-to-charge ratios. It offers high sensitivity and specificity, making it particularly effective for studying complex molecules like lipids.34
- Nuclear magnetic resonance (NMR) spectroscopy: This method uses radio-frequency radiation to detect atomic nuclei within a molecule. It is a rapid, reproducible technique that preserves the integrity of the sample, though it generally has lower sensitivity than mass spectrometry.54
Data obtained from these methods are mapped onto known biochemical pathways to interpret metabolic networks. Researchers employ either targeted approaches, which focus on defined panels of specific biochemicals, or nontargeted approaches, which aim to provide a broad, discovery-oriented portrait of metabolism by comparing different experimental conditions.67