1.
J Med Chem
; 55(8): 4010-4, 2012 Apr 26.
Artículo
en Inglés
| MEDLINE
| ID: mdl-22455383
RESUMEN
Molecular knowledge of hERG blocking liability can offer the possibility of optimizing lead compounds in a way that eliminates potentially lethal side effects. In this study, we computationally designed, synthesized, and tested a small series of "minimally structured" molecules. Some of these compounds were remarkably potent against hERG (6, IC(50) = 2.4 nM), allowing us to identify the minimal structural requirements for hERG blocking liability.