A Focus on Unusual ECL2 Interactions Yields ß2 -Adrenergic Receptor Antagonists with Unprecedented Scaffolds.
ChemMedChem
; 15(10): 882-890, 2020 05 19.
Article
em En
| MEDLINE
| ID: mdl-32301583
ABSTRACT
The binding pockets of aminergic G protein-coupled receptors are often targeted by drugs and virtual screening campaigns. In order to find ligands with unprecedented scaffolds for one of the best-investigated receptors of this subfamily, the ß2 -adrenergic receptor, we conducted a docking-based screen insisting that molecules would address previously untargeted residues in extracellular loop 2. We here report the discovery of ligands with a previously undescribed coumaran-based scaffold. Furthermore, we provide an analysis of the added value that X-ray structures in different conformations deliver for such docking screens.
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Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Receptores Adrenérgicos beta 2
/
Antagonistas de Receptores Adrenérgicos beta 2
Limite:
Humans
Idioma:
En
Revista:
ChemMedChem
Ano de publicação:
2020
Tipo de documento:
Article