Similarity- and Substructure-Based Development of ß2-Adrenergic Receptor Ligands Based on Unusual Scaffolds.
ACS Med Chem Lett
; 8(5): 481-485, 2017 May 11.
Article
em En
| MEDLINE
| ID: mdl-28523097
ABSTRACT
The ß2-adrenergic receptor (ß2AR) is a G protein-coupled receptor (GPCR) and a well-explored target. Here, we report the discovery of 13 ligands, ten of which are novel, of this particular GPCR. They have been identified by similarity- and substructure-based searches using multiple ligands, which were described in an earlier study, as starting points. Of note, two of the molecules used as queries here distinguish themselves from other ß2AR antagonists by their unique scaffold. The molecules described in this work allow us to explore the ligand space around the previously reported molecules in greater detail, leading to insights into their structure-activity relationship. We also report experimental binding and selectivity data and putative binding modes for the novel molecules.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
ACS Med Chem Lett
Ano de publicação:
2017
Tipo de documento:
Article
País de afiliação:
Alemanha