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Metelytsia, L.O.* ; Hodyna, D.M.* ; Semenyuta, I.V.* ; Kovalishyn, V.V.* ; Rogalsky, S.P.* ; Derevianko, Y.K.* ; Brovarets, V.S.* ; Tetko, I.V.

Theoretical and experimental studies of phosphonium ionic liquids as potential antibacterials of MDR Acinetobacter baumannii.

Antibiotics 11:491 (2022)
Publ. Version/Full Text Research data DOI PMC
Open Access Gold
Creative Commons Lizenzvertrag
A previously developed model to predict antibacterial activity of ionic liquids against a resistant A. baumannii strain was used to assess activity of phosphonium ionic liquids. Their antioxidant potential was additionally evaluated with newly developed models, which were based on public data. The accuracy of the models was rigorously evaluated using cross-validation as well as test set prediction. Six alkyl triphenylphosphonium and alkyl tributylphosphonium bromides with the C8, C10, and C12 alkyl chain length were synthesized and tested in vitro. Experimental studies confirmed their activity against A. baumannii as well as showed pronounced antioxidant properties. These results suggest that phosphonium ionic liquids could be promising lead structures against A. baumannii.
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Publication type Article: Journal article
Document type Scientific Article
Corresponding Author
Keywords Acinetobacter Baumannii ; Antibacterial ; Antioxidants ; Ochem ; Phosphonium Ionic Liquids ; Qsar
ISSN (print) / ISBN 2079-6382
e-ISSN 2079-6382
Journal Antibiotics
Quellenangaben Volume: 11, Issue: 4, Pages: , Article Number: 491 Supplement: ,
Publisher MDPI
Non-patent literature Publications
Reviewing status Peer reviewed
Grants Federal Ministry of Education & Research (BMBF)