Autor:	Walter E. DeWolf, Dennis Lee, Ryan M Dominic, Cheryl A. Janson, Martha S. Head, Yanhong Feng, Nestor O. Concha, Paul M. Keller
Rok vydání:	2001
Předmět:	Library design Caspase inhibitors biology Drug Discovery biology.protein Structure based Caspase 3 Computational biology Physical and Theoretical Chemistry Caspase 8 Combinatorial chemistry Caspase Computer Science Applications
Zdroj:	Journal of Computer-Aided Molecular Design. 15:1105-1117
ISSN:	0920-654X
Popis:	Structure-based design of a combinatorial array was carried out in order to identify non-peptidic thiomethylketone inhibitors of caspases 3 and 8. Five compounds from the designed array were active against caspase 3, and two were active against caspase 8. A 2.5-A resolution co-crystal structure of caspase 3 and a thiomethylketone array member is reported. The structure-based design strategy has proved useful for identifying caspase inhibitors.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::dc6b9250e7363ec1e4dbc0bd6a9334e1 https://doi.org/10.1023/a:1015976725743 Zobrazit plný text záznamu Full text from SpringerLink