Rogalsky, S.Hodyna, D.Semenyuta, I.Frasinyuk, M.Tarasyuk, O.Riabov, S.Kobrina, L.Tetko, I.Metelytsia, L.2023-12-192023-12-192023Antibacterial activity of 1-dodecylpyridinium tetrafluoroborate and its inclusion complex with sulfobutyl ether-B-cyclodextrin against mdr acinetobacter baumannii strains / S. Rogalsky, D. Hodyna, I. Semenyuta, M. Frasinyuk, O. Tarasyuk, S. Riabov, L. Kobrina, I. Tetko, L. Metelytsia // Innovative Biosystems and Bioengineering : international scientific journal. – 2023. – Vol. 7, No. 4. – P. 25-35. – Bibliogr.: 38 ref.https://ela.kpi.ua/handle/123456789/63215Background.The bacterial pathogen Acinetobacter baumanniiis one of the most dangerous multi-drug-resistant (MDR) microorganisms, which causes numerous bacterial infections. Nowadays, there is an urgent need for new broad-spectrum antibacterial agents with specific molecular mechanisms of action. Long-chain 1-alkylpyridinium salts are efficient cationic biocides which can inhibit enzymes involved in the biosynthesis of bacterial fatty acids.Incorporating these compounds into inclusion complexes with cyclic oligosaccharide B-cyclodextrin can reduce their relatively high acute toxicity.Objective. The aim of this research was to develop new anti-A.baumanniiagents based on hydrophobic 1-alkylpyridinium salt and its inclusion complex with sulfobutyl ether B-cyclodextrin (SBECD). Methods. Hydrophobiccationic biocide 1-dodecylpyridinium tetrafluoroborate (PyrC12-BF4) and its inclu-sion complex with SBECD have been synthesized. The structure of the SBECD/PyrC12-BF4complex was characterized by 1H Nuclear Magnetic Resonance spectroscopy, as well as UV spectroscopy. In vitroanti-bacterial activity of the synthesized compounds was estimated against MDR clinical isolates of A. baumanniiusing standard disc diffusion method. Acute toxicity studies were performed on Daphnia magnamodel hydro-biont.Molecular docking was performed using the crystal structure of the A.baumannii3-oxoacyl-[acyl-carrier-protein] reductase(FabG).enationic biocideantibacterial activityacute toxicitymolecular dockingB-cyclodextrininclusion complexкатіонний біоцидантибактеріальна активністьгостра токсичністьмолекулярний докінгB-циклодекстринсульфобутиловий етер B-циклодекстринукомплекс включенняArticlePp. 25-35https://doi.org/10.20535/ibb.2023.7.4.288529