title: Synthesis and evaluation of N-acyl-substituted 1,2-benzisothiazol-3-one derivatives as caspase-3 inhibitors.
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.
authors.forename: Zhenghui
authors.initials: Z
authors.lastname: Li
authors.forename: Yang
authors.initials: Y
authors.lastname: Pan
authors.forename: Weilong
authors.initials: W
authors.lastname: Zhong
authors.forename: Yunpeng
authors.initials: Y
authors.lastname: Zhu
authors.forename: Yongle
authors.initials: Y
authors.lastname: Zhao
authors.forename: Lixin
authors.initials: L
authors.lastname: Li
authors.forename: Wei
authors.initials: W
authors.lastname: Liu
authors.forename: Honggang
authors.initials: H
authors.lastname: Zhou
authors.forename: Cheng
authors.initials: C
authors.lastname: Yang
mesh_terms: D017209:Apoptosis / Q000187:drug effects; D001665:Binding Sites; D002166:Camptothecin / Q000633:toxicity; D053148:Caspase 3 / Q000737:chemistry / Q000378:metabolism*; D053179:Caspase 7 / Q000737:chemistry / Q000378:metabolism; D061945:Caspase Inhibitors / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D020134:Catalytic Domain; D006801:Humans; D019169:Jurkat Cells; D062105:Molecular Docking Simulation; D011485:Protein Binding; D013329:Structure-Activity Relationship; D013844:Thiazoles / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology
chemical_list: D061945:Caspase Inhibitors; D013844:Thiazoles; D053148:Caspase 3; D053179:Caspase 7; D002166:Camptothecin