Crystallographic and Electroanalytical Analyses of Fexinidazole and Its Major Metabolites.

ABSTRACT: Fexinidazole, a drug active against trypanosomiasis and leishmaniasis, is a rare example of a nitroaromatic compound approved under the contemporary drug discovery framework. In an earlier study, we showed that the nitro group is absolutely required for antileishmanial activity. The current study employed X-ray crystallography to unveil the structural intricacies of fexinidazole and its principal metabolites, as well as electroanalytical analyses to characterize the reduction properties of the aromatic nitro group. Fexinidazole showcases a predominantly planar geometry with two distinct conformers. While most metrical parameters were conserved between fexinidazole and its metabolites, differences in the methyl ether bridge and S-methyl tail indicated distinctive preferences in molec

SUBMITTER: Surur AS 

PROVIDER: S-EPMC12392169 | biostudies-literature | 2025 Aug

REPOSITORIES: biostudies-literature