Chemoinformatics View on Bitter Taste Receptor Agonists in Food.
TAS2Rs
bitter molecules
bitter taste receptors
chemical space
food
scaffold decomposition
Journal
Journal of agricultural and food chemistry
ISSN: 1520-5118
Titre abrégé: J Agric Food Chem
Pays: United States
ID NLM: 0374755
Informations de publication
Date de publication:
24 Nov 2021
24 Nov 2021
Historique:
pubmed:
12
11
2021
medline:
26
11
2021
entrez:
11
11
2021
Statut:
ppublish
Résumé
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.
Identifiants
pubmed: 34762411
doi: 10.1021/acs.jafc.1c05057
pmc: PMC8630789
doi:
Substances chimiques
Pharmaceutical Preparations
0
Receptors, G-Protein-Coupled
0
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
13916-13924Références
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