Electrochemical and microsomal production of free radicals from 1,2,5-oxadiazole N-oxide as potential antiprotozoal drugs.
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.
Olea-Azar
C
C
Departamento de Quimica Inorgánica y Analítica, Facultad de Ciencias Químicas y Farmacéuticas, Universidad de Chile, Olivos 1007, Cassilla 233, Santiago, Chile. colea@uchile.cl
Rigol
Carolina
C
Mendizábal
Fernando
F
Briones
R
R
Cerecetto
Hugo
H
Di Maio
Rossana
R
Risso
Mariela
M
González
Mercedes
M
Porcal
Williams
W
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
D000981:Antiprotozoal Agents; D005609:Free Radicals; D010069:Oxadiazoles