[Pharmacophore identification of novel dual-target compounds targeting AChE and PARP-1].
Yao Xue Xue Bao
; 49(6): 819-23, 2014 Jun.
Article
em Zh
| MEDLINE
| ID: mdl-25212026
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).
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Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Inibidores da Colinesterase
/
Descoberta de Drogas
/
Inibidores de Poli(ADP-Ribose) Polimerases
Tipo de estudo:
Diagnostic_studies
Idioma:
Zh
Ano de publicação:
2014
Tipo de documento:
Article