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Structure-Guided Identification of a Small Molecule That Inhibits Anaerobic Choline Metabolism by Human Gut Bacteria

Author(s)
Orman, Marina; Bodea, Smaranda; Funk, Michael A.; Campo, Ana Martínez-del; Bollenbach, Maud; Drennan, Catherine L; Balskus, Emily P.; ... Show more Show less
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Abstract
The anaerobic gut microbial pathway that converts choline into trimethylamine (TMA) is broadly linked to human disease. Here, we describe the discovery that betaine aldehyde inhibits TMA production from choline by human gut bacterial isolates and a complex gut community. In vitro assays and a crystal structure suggest betaine aldehyde targets the gut microbial enzyme choline TMA-lyase (CutC). In our system, we do not observe activity for the previously reported CutC inhibitor 3,3-dimethylbutanol (DMB). The workflow we establish for identifying and characterizing betaine aldehyde provides a framework for developing additional inhibitors of gut microbial choline metabolism, including therapeutic candidates.
Date issued
2018-12
URI
https://hdl.handle.net/1721.1/128651
Department
Massachusetts Institute of Technology. Department of Chemistry; Massachusetts Institute of Technology. Department of Biology
Journal
Journal of the American Chemical Society
Publisher
American Chemical Society (ACS)
Citation
Orman, Marina et al. "Structure-Guided Identification of a Small Molecule That Inhibits Anaerobic Choline Metabolism by Human Gut Bacteria." Journal of the American Chemical Society 141, 1 (December 2018): 33–37. © 2018 American Chemical Society
Version: Author's final manuscript
ISSN
0002-7863
1520-5126

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