Structure-activity relationships in non-ligand binding pocket (non-LBP) diarylhydrazide antiandrogens.
J Chem Inf Model
; 53(8): 2116-30, 2013 Aug 26.
Article
em En
| MEDLINE
| ID: mdl-23834240
ABSTRACT
We report the synthesis and a study of the structure-activity relationships of a new series of diarylhydrazides as potential selective non-ligand binding pocket androgen receptor antagonists. Their biological activity as antiandrogens in the context of the development of treatments for castration resistant prostate cancer was evaluated using in vitro time resolved fluorescence resonance energy transfer and fluorescence polarization on target assays. Additionally, a theoretical study combining docking and molecular dynamics methods was performed to provide insight into their mechanism of action as a basis for further lead optimization studies.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Desenho de Fármacos
/
Simulação de Dinâmica Molecular
/
Simulação de Acoplamento Molecular
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Hidrazinas
/
Antagonistas de Androgênios
Idioma:
En
Revista:
J Chem Inf Model
Ano de publicação:
2013
Tipo de documento:
Article