title: Electrochemical and microsomal production of free radicals from 1,2,5-oxadiazole N-oxide as potential antiprotozoal drugs.
abstract: The electron spin resonance (ESR) spectra of free radicals obtained by electrolytic or microsomal reduction of several potential antiprotozoal 1,2,5-oxadiazoles were characterized and analyzed. Ab initio molecular orbital calculations were performed to obtain the optimized geometries and the theoretical hyperfine constant was carried out using ZINDO semiempirical methodology. Density functional theory was used to rationalize the reduction potentials of these compounds.
authors.affiliation: Departamento de Quimica Inorgánica y Analítica, Facultad de Ciencias Químicas y Farmacéuticas, Universidad de Chile, Olivos 1007, Cassilla 233, Santiago, Chile. colea@uchile.cl
authors.forename: C
authors.initials: C
authors.lastname: Olea-Azar
authors.forename: Carolina
authors.initials: C
authors.lastname: Rigol
authors.forename: Fernando
authors.initials: F
authors.lastname: Mendizábal
authors.forename: R
authors.initials: R
authors.lastname: Briones
authors.forename: Hugo
authors.initials: H
authors.lastname: Cerecetto
authors.forename: Rossana
authors.initials: R
authors.lastname: Di Maio
authors.forename: Mariela
authors.initials: M
authors.lastname: Risso
authors.forename: Mercedes
authors.initials: M
authors.lastname: González
authors.forename: Williams
authors.initials: W
authors.lastname: Porcal
mesh_terms: D000981:Antiprotozoal Agents / Q000494:pharmacology*; D004563:Electrochemistry / Q000379:methods*; D004578:Electron Spin Resonance Spectroscopy / Q000379:methods*; D005609:Free Radicals; D008861:Microsomes; D008956:Models, Chemical; D010069:Oxadiazoles / Q000032:analysis* / Q000737:chemistry
chemical_list: D000981:Antiprotozoal Agents; D005609:Free Radicals; D010069:Oxadiazoles