Chemoinformatics View on Bitter Taste Receptor Agonists in Food

Food compounds with a bitter taste have a role in human health, both for their capability to influence food choice and preferences and for their possible systemic effect due to the modulation of extra-oral bitter taste receptors (TAS2Rs). Investigating the interaction of bitter food compounds with T...

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Bibliographic Details
Published inJournal of agricultural and food chemistry Vol. 69; no. 46; pp. 13916 - 13924
Main Authors Bayer, Sebastian, Mayer, Ariane Isabell, Borgonovo, Gigliola, Morini, Gabriella, Di Pizio, Antonella, Bassoli, Angela
Format Journal Article
LanguageEnglish
Published American Chemical Society 24.11.2021
Subjects
Chemistry and Biology of Aroma and Taste
bitter taste receptors
bitter molecules
chemical space
TAS2Rs
scaffold decomposition
food
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Summary:Food compounds with a bitter taste have a role in human health, both for their capability to influence food choice and preferences and for their possible systemic effect due to the modulation of extra-oral bitter taste receptors (TAS2Rs). Investigating the interaction of bitter food compounds with TAS2Rs is a key step to unravel their complex effects on health and to pave the way to rationally design new additives for food formulation or drugs. Here, we propose a collection of food bitter compounds, for which in vitro activity data against TAS2Rs are available. The patterns of TAS2R subtype-specific agonists were analyzed using scaffold decomposition and chemical space analysis, providing a detailed characterization of the associations between food bitter tastants and TAS2Rs.
ISSN:0021-8561
1520-5118
DOI:10.1021/acs.jafc.1c05057