Abstract
A small molecule library of N-acyl-substituted 1,2-benzisothiazol-3-one derivatives has been synthesized and evaluated as inhibitors of caspase-3 and -7, in which some of them showed nanomolar potency against caspase-3 and -7 in vitro. Meanwhile, in 10 lM concentration, both compounds 24 and 25 showed significant protection against apoptosis in camptothecin-induced Jurkat T cells system. The docking studies predicted the interactions and binding modes of the synthesized inhibitors in the caspase-3 active site.
Publication types
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Research Support, Non-U.S. Gov't
MeSH terms
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Apoptosis / drug effects
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Binding Sites
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Camptothecin / toxicity
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Caspase 3 / chemistry
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Caspase 3 / metabolism*
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Caspase 7 / chemistry
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Caspase 7 / metabolism
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Caspase Inhibitors / chemical synthesis*
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Caspase Inhibitors / chemistry
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Caspase Inhibitors / pharmacology
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Catalytic Domain
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Humans
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Jurkat Cells
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Molecular Docking Simulation
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Protein Binding
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Structure-Activity Relationship
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Thiazoles / chemical synthesis
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Thiazoles / chemistry*
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Thiazoles / pharmacology
Substances
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Caspase Inhibitors
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Thiazoles
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Caspase 3
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Caspase 7
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Camptothecin