1.
Org Lett
; 15(13): 3234-7, 2013 Jul 05.
Artigo
em Inglês
| MEDLINE
| ID: mdl-23763721
RESUMO
In order to mimic amphipathic α-helices, a novel scaffold based on a 1,2-diphenylacetylene was designed. NMR and computational modeling confirmed that an intramolecular hydrogen bond favors conformations of the 1,2-diphenylacetylene that allow for accurate mimicry of the i, i + 7 and i + 2, i + 5 side chains found on opposing faces of an α-helix.
Assuntos
Acetileno/análogos & derivados , Peptídeos/química , Acetileno/química , Biomimética , Computadores Moleculares , Ligação de Hidrogênio , Espectroscopia de Ressonância Magnética , Modelos Moleculares , Conformação Molecular , Estrutura Secundária de Proteína
2.
Org Biomol Chem
; 11(22): 3706-32, 2013 Jun 14.
Artigo
em Inglês
| MEDLINE
| ID: mdl-23624850
RESUMO
We herein report on the pharmacophore determination of the ERK docking domain inhibitor (Z)-3-(2-aminoethyl)-5-(4-ethoxybenzylidene)thiazolidine-2,4-dione, which has led to the discovery of compounds with greater selectivities for inhibiting the proliferation of melanoma cells containing active ERK signaling.