ArticleScientific reports2017
Identification of the Beer Component Hordenine as Food-Derived Dopamine D2 Receptor Agonist by Virtual Screening a 3D Compound Database.
Article in Scientific reports, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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Who cites it
7 citing papers in PubMed, 34 citations in OpenAlex.
- Permeability of dopamine D2 receptor agonist hordenine across the intestinal and blood-brain barrier in vitro.PloS one · 2022Article
- Mechanistic insights into dopaminergic and serotonergic neurotransmission - concerted interactions with helices 5 and 6 drive the functional outcome.Chemical science · 2021Article
- The good, the bad and the ugly of lockdowns during Covid-19.PloS one · 2021Article
- Application of Magnetic Core-Shell Imprinted Nanoconjugates for the Analysis of Hordenine in Human Plasma-Preliminary Data on Pharmacokinetic Study after Oral Administration.Journal of agricultural and food chemistry · 2020Article
- Beer and Consumer Response Using Biometrics: Associations Assessment of Beer Compounds and Elicited Emotions.Foods (Basel, Switzerland) · 2020Article
- Rational design of agonists for bitter taste receptor TAS2R14: from modeling to bench and back.Cellular and molecular life sciences : CMLS · 2020Article
- G-Protein coupled receptors: answers from simulations.Beilstein journal of organic chemistry · 2017Review
Corrections and comments
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Authors and funding
6 authors at 2 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The dopamine D2 receptor (D2R) is involved in food reward and compulsive food intake. The present study developed a virtual screening (VS) method to identify food components, which may modulate D2R signalling. In contrast to their common applications in drug discovery, VS methods are rarely applied for the discovery of bioactive food compounds. Here, databases were created that exclusively contain substances occurring in food and natural sources (about 13,000 different compounds in total) as the basis for combined pharmacophore searching, hit-list clustering and molecular docking into D2R homology models. From 17 compounds finally tested in radioligand assays to determine their binding affinities, seven were classified as hits (hit rate = 41%). Functional properties of the five most active compounds were further examined in β-arrestin recruitment and cAMP inhibition experiments. D2R-promoted G-protein activation was observed for hordenine, a constituent of barley and beer, with approximately identical ligand efficacy as dopamine (76%) and a K
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