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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)
Verlagsversion Forschungsdaten 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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Publikationstyp Artikel: Journalartikel
Dokumenttyp Wissenschaftlicher Artikel
Korrespondenzautor
Schlagwörter Acinetobacter Baumannii ; Antibacterial ; Antioxidants ; Ochem ; Phosphonium Ionic Liquids ; Qsar
ISSN (print) / ISBN 2079-6382
e-ISSN 2079-6382
Zeitschrift Antibiotics
Quellenangaben Band: 11, Heft: 4, Seiten: , Artikelnummer: 491 Supplement: ,
Verlag MDPI
Nichtpatentliteratur Publikationen
Begutachtungsstatus Peer reviewed
Institut(e) Institute of Structural Biology (STB)
Förderungen Federal Ministry of Education & Research (BMBF)