Pharmacophore identification of novel dual-target compounds targeting AChE and PARP-1 / 药学学报
Acta Pharmaceutica Sinica
;
(12): 819-823, 2014.
Artigo
em Chinês
| WPRIM
| ID: wpr-245009
ABSTRACT
Multi-target drugs attract increasing attentions for the therapy of complicated neurodegenerative diseases. In this study, a computer-assisted strategy was applied to search for multi-target compounds by the pharmacophore matching. This strategy has been successfully used to design dual-target inhibitor models against both the acetylcholinesterase (AChE) and poly (ADP-ribose) polymerase-1 (PARP-1). Based on two pharmacophore models matching and physicochemical properties filtering, one hit was identified which could inhibit AChE with IC50 value of (0.337 +/- 0.052) micromol x L(-1) and PARP-1 by 24.6% at 1 micromol x L(-1).
Texto completo:
DisponíveL
Índice:
WPRIM (Pacífico Ocidental)
Assunto principal:
Farmacologia
/
Acetilcolinesterase
/
Inibidores da Colinesterase
/
Desenho Assistido por Computador
/
Descoberta de Drogas
/
Inibidores de Poli(ADP-Ribose) Polimerases
/
Metabolismo
/
Métodos
Tipo de estudo:
Estudo diagnóstico
Idioma:
Chinês
Revista:
Acta Pharmaceutica Sinica
Ano de publicação:
2014
Tipo de documento:
Artigo
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