Abstract

VALENCIA URIBE, Cristina; TOBON, Eduard Alejandro; FIGUEREDO, Fernando  and  HENAO, Diana Patricia. Phototoxicity of drugs sulfas and reactivity with singlet molecular oxygen. Rev. Soc. Quím. Perú [online]. 2008, vol.74, n.4, pp.311-322. ISSN 1810-634X.

Sulfas medicines are used in various pathologies. However, previous studies reported photochemical instability, which in some cases can be linked to a photosensitizer in the generation of active oxygen species, especially singlet oxygen. This paper presents advances in reference to the characteristics of reactivity compared to electrophilic species such as singlet oxygen with acetazolamide, as assessed through theoretical studies, with the determination of Fukui indexes (DFT), through the calculation of Mulliken charges. In parallel, also addressed the study of surfaces of electrostatic isopotencial and some parameters related to the theory of atoms in molecules AIM. In the analysis of the Fukui indexes, there is a tendency to react with electrophilic by the sulfur in the ring, directing and acetazolamide interaction between oxygen excited to favor the formation of an intermediate polar. Furthermore the study of the molecular topology through, says other sites compared with electrophilic reagents, including nitrogen ring, which could lead to a tendency for a concerted cycle addition.

Keywords : Acetazolamide; sulfas; phototoxicity; reactivity indexes; singlet oxygen.

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