2023-05-262024-03-252023-03-24OLIVEIRA, Carlos Henrique de Moura. Estudo estrutural e da atividade antibacteriana in vitro de formas multicomponentes de sulfonamidas e sulfona: sulfametoxazol, sulfadiazina, sulfanilamida, sulfacetamida e dapsona. 2023. 165 f. Tese (Mestrado em Química) - Universidade Federal de Alfenas, Alfenas, MG, 2023.https://repositorio.unifal-mg.edu.br/handle/123456789/2248Sulfamethoxazole (SMZ), sulfadiazine (SDZ), sulfanilamide (SDF), sulfacetamide (SDC) and dapsone (DDS) are synthetic antibiotics included in the antimicrobial list suffering with microorganism resistance. New formulations as multicomponent structures and multifactorial (salts from active pharmaceutical ingredient) or derivatives more biodisponible can be an interesting tool for adequate treatment of resistance microorganism infections. So, we present new salts multifactorial with polyiodide (SMZ[I5].H2O, SDZ2[I4], SDF[I3].0,5H2O and H2DDS[I3][I5].4H2O) expecting a synergy and enhanced antimicrobial activity; and the N-acetyl derivatives (SMZAt, SDZAth, SDCAth and DDSAt) as pro-drugs with a expected enhancement of lipophilicity. The new structures were determined by single crystal X-ray diffraction analysis and characterization by powder X-ray diffraction, Fourier transform infrared (FT-IR) and ultraviolet/visible (UV-Vis) spectroscopy, differential thermal analysis (DTA) and thermogravimetry (TG). The structures of SMZ[I5].H2O, SDF[I3].0,5H2O, H2DDS[I3][I5].4H2O, SDCAth e SDZAth were determined for the first time in this work. Intermolecular contacts I•••H/H•••I (salt structure) and O...H/H...O (salt structures and N-acetyl derivatives) are more intense as proposed by the analysis of the Hirshfeld surface. The salts with polyiodide decompose without melting; whereas, the N-acetyl derivatives lose the pre-molecule before melting that occurs in high temperature. Finally, the solid forms obtained were tested in vitro against Escherichia coli, Pseudomonas aeruginosa and Staphylococcus aureus. An enhanced antibacterial activity, especially for SMZ[I5].H2O was observed in comparison to the original sulfonamide (SMZ).application/pdfAcesso Embargadohttp://creativecommons.org/licenses/by-nc-nd/4.0/SulfonamidasSulfonaSais de poliiodetoLigação de halogênioPró-fármacoAatividade antibacterianaQUIMICA::FISICO-QUIMICATeseDoriguetto, Antonio Carlos