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Docking and 3D-QSAR Studies on Isatin Sulfonamide Analogues as Caspase-3 Inhibitors

To provide insight of their inhibition mechanism and facilitate the design of more potent ligands, a series of 59 isatin sulfonamide analogues were docked to the X-ray structure of caspase-3, one of the important cysteine aspartyl-specific execution proteases in apoptosis, and their binding conforma...

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Detalhes bibliográficos
Main Authors: Wang, Qi, Mach, Robert H., Reichert, David E.
Formato: Artigo
Idioma:Inglês
Publicado em: 2009
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2767110/
https://ncbi.nlm.nih.gov/pubmed/19610597
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci900144x
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