Molecular modeling: a search for a calpain inhibitor as a new treatment for cataractogenesis.
J Med Chem
; 54(21): 7503-22, 2011 Nov 10.
Article
em En
| MEDLINE
| ID: mdl-21955158
ABSTRACT
Studies of 17 analoges of 3 (SJA6017) in an in silico calpain model are reconciled to measured IC(50) values against ovine calpain. The studies validate the potential of the "model" and criteria established for inhibition as a tool to select structures for synthesis to test as calpain inhibitors. Using this screening methodology of virtual libraries led us to synthesize several inhibitors including macrocycle 33, which in vitro sheep eye lens culture experiments showed to substantially slow opacification.
Texto completo:
1
Base de dados:
MEDLINE
Assunto principal:
Catarata
/
Calpaína
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Modelos Moleculares
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Compostos Macrocíclicos
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Dipeptídeos
Idioma:
En
Ano de publicação:
2011
Tipo de documento:
Article