Ligation Motifs in Zinc-Bound Sulfonamide Drugs Assayed by IR Ion Spectroscopy.

ABSTRACT: The sulfonamide-zinc ion interaction, performing a key role in various biological contexts, is the focus of the present study, with the aim of elucidating ligation motifs in zinc complexes of sulfa drugs, namely sulfadiazine (SDZ) and sulfathiazole (STZ), in a perturbation-free environment. To this end, an approach is exploited based on mass spectrometry coupled with infrared multiple photon dissociation (IRMPD) spectroscopy backed by quantum chemical calculations. IR spectra of Zn(H₂O+SDZ-H)⁺ and Zn(H₂O+STZ-H)⁺ ions are consistent with a three-coordinate zinc complex, where ZnOH⁺ binds to the uncharged sulfonamide via N(heterocycle) and O(sulfonyl) donor atoms. Alternative prototropic isomers Zn(OH₂)(SDZ-H)⁺ and

SUBMITTER: Corinti D 

PROVIDER: S-EPMC9146759 | biostudies-literature | 2022 May

REPOSITORIES: biostudies-literature