Electrochemical and microsomal production of free radicals from 1,2,5-oxadiazole N-oxide as potential antiprotozoal drugs |
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| Authors: | Olea-Azar C Rigol Carolina Mendizábal Fernando Briones R Cerecetto Hugo Di Maio Rossana Risso Mariela González Mercedes Porcal Williams |
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| Institution: | Departamento de Quimica Inorgánica y Analítica, Facultad de Ciencias Químicas y Farmacéuticas, Universidad de Chile, Olivos 1007, Cassilla 233, Santiago, Chile. colea@uchile.cl |
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| 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. |
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