title: Utilization of the 1,2,3,5-thiatriazolidin-3-one 1,1-dioxide scaffold in the design of potential inhibitors of human neutrophil proteinase 3.
abstract: The S' subsites of human neutrophil proteinase 3 (Pr 3) were probed by constructing diverse libraries of compounds based on the 1,2,3,5-thiatriazolidin-3-one 1,1-dioxide using combinational and click chemistry methods. The multiple points of diversity embodied in the heterocyclic scaffold render it well-suited to the exploration of the S' subsites of Pr 3. Molecular modeling studies suggest that further exploration of the S' subsites of Pr 3 using the aforementioned heterocyclic scaffold may lead to the identification of highly selective, reversible competitive inhibitors of Pr 3.
authors.affiliation: Department of Chemistry, Wichita State University, Wichita, KS 67260, United States.
authors.forename: Dengfeng
authors.initials: D
authors.lastname: Dou
authors.forename: Guijia
authors.initials: G
authors.lastname: He
authors.forename: Yi
authors.initials: Y
authors.lastname: Li
authors.forename: Zhong
authors.initials: Z
authors.lastname: Lai
authors.forename: Liuqing
authors.initials: L
authors.lastname: Wei
authors.forename: Kevin R
authors.initials: KR
authors.lastname: Alliston
authors.forename: Gerald H
authors.initials: GH
authors.lastname: Lushington
authors.forename: David M
authors.initials: DM
authors.lastname: Eichhorn
authors.forename: William C
authors.initials: WC
authors.lastname: Groutas
mesh_terms: D018360:Crystallography, X-Ray; D006801:Humans; D008958:Models, Molecular; D053146:Myeloblastin / Q000037:antagonists & inhibitors* / Q000737:chemistry / Q000378:metabolism*; D011485:Protein Binding; D015842:Serine Proteinase Inhibitors / Q000737:chemistry* / Q000494:pharmacology*; D014230:Triazoles / Q000737:chemistry* / Q000494:pharmacology*
chemical_list: C549117:1,2,3,5-thiatriazolidin-3-one 1,1-dioxide; D015842:Serine Proteinase Inhibitors; D014230:Triazoles; D053146:Myeloblastin