Identification of potent catalytic inhibitors of human DNA topoisomerase II by structure-based virtual screening.
Medchemcomm
; 9(7): 1142-1146, 2018 Jul 01.
Article
em En
| MEDLINE
| ID: mdl-30109001
ABSTRACT
Human DNA topoisomerase II (Top2) is a promising target for cancer treatment. To overcome the limitations of known Top2 inhibitors, novel Top2 catalytic inhibitors with new scaffolds were identified by structure-based virtual screening. In particular, compound 8 showed good in vitro antiproliferative activity with a broad spectrum. Top2-mediated cleavage assay and molecular modeling rationalized the mode of action. The new Top2 inhibitors are considered as good starting points for further hit-to-lead optimization in anticancer drug discovery.
Texto completo:
1
Coleções:
01-internacional
Temas:
Geral
Base de dados:
MEDLINE
Tipo de estudo:
Diagnostic_studies
/
Screening_studies
Idioma:
En
Revista:
Medchemcomm
Ano de publicação:
2018
Tipo de documento:
Article