Structure-based screening for discovery of sweet compounds.
Food Chem
; 315: 126286, 2020 Jun 15.
Article
em En
| MEDLINE
| ID: mdl-32018080
ABSTRACT
Sweet taste is a cue for calorie-rich food and is innately attractive to animals, including humans. In the context of modern diets, attraction to sweetness presents a significant challenge to human health. Most known sugars and sweeteners bind to the Venus Fly Trap domain of T1R2 subunit of the sweet taste heterodimer. Because the sweet taste receptor structure has not been experimentally solved yet, a possible approach to finding sweet molecules is virtual screening using compatibility of candidate molecules to homology models of sugar-binding site. Here, the constructed structural models, docking and scoring schemes were validated by their ability to rank known sweet-tasting compounds higher than properties-matched random molecules. The best performing models were next used in virtual screening, retrieving recently patented sweeteners and providing novel predictions.
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Base de dados:
MEDLINE
Assunto principal:
Receptores Acoplados a Proteínas G
/
Glucose
Idioma:
En
Ano de publicação:
2020
Tipo de documento:
Article