title: Synthesis and quantitative structure-activity relationships of fluorine-containing 4,4-dihydroxylmethyl-2-aryliminooxazo(thiazo)lidines as trehalase inhibitors.
abstract: Five fluorine-containing 4,4-dihydroxylmethyl-2-aryliminooxazolidines and five 4,4-dihydroxylmethyl-2-aryliminothiazolidines were synthesized and evaluated for their inhibitory activity against trehalase in vitro. All these compounds were very readily synthesized compared with the natural trehalase inhibitors. They had moderate inhibitory activity toward trehalase, and showed larvicidal activity and inhibition action to insect flight. The steric parameters and semiempirical quantum parameters of these compounds were acquired by using the molecular modeling method and the PM3-SCF-MO method, respectively. A quantitative structure-activity relationship between half-inhibitory concentrations toward trehalase and the above parameters was established.
authors.affiliation: State Key Laboratory of Fine Chemicals, Dalian University of Technology, P.O. Box 40, 158 Zhongshan Road, Dalian 116012, China. xhqian@ecust.edu.cn
authors.forename: X
authors.initials: X
authors.lastname: Qian
authors.forename: Z
authors.initials: Z
authors.lastname: Liu
authors.forename: Z
authors.initials: Z
authors.lastname: Li
authors.forename: Z
authors.initials: Z
authors.lastname: Li
authors.forename: G
authors.initials: G
authors.lastname: Song
mesh_terms: D000818:Animals; D004331:Drosophila melanogaster; D004791:Enzyme Inhibitors / Q000494:pharmacology*; D005461:Fluorine / Q000032:analysis*; D021281:Quantitative Structure-Activity Relationship; D013844:Thiazoles / Q000737:chemistry / Q000494:pharmacology*; D014198:Trehalase / Q000037:antagonists & inhibitors*
chemical_list: D004791:Enzyme Inhibitors; D013844:Thiazoles; D005461:Fluorine; D014198:Trehalase