Theoretical and Experimental Studies of Phosphonium Ionic Liquids as Potential Antibacterials of MDR <i>Acinetobacter baumannii</i>
A previously developed model to predict antibacterial activity of ionic liquids against a resistant <i>A. baumannii</i> strain was used to assess activity of phosphonium ionic liquids. Their antioxidant potential was additionally evaluated with newly developed models, which were based on...
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| Format: | Article |
| Language: | English |
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MDPI AG
2022-04-01
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| Series: | Antibiotics |
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| Online Access: | https://www.mdpi.com/2079-6382/11/4/491 |
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| author | Larysa O. Metelytsia Diana M. Hodyna Ivan V. Semenyuta Vasyl V. Kovalishyn Sergiy P. Rogalsky Kateryna Yu Derevianko Volodymyr S. Brovarets Igor V. Tetko |
| author_facet | Larysa O. Metelytsia Diana M. Hodyna Ivan V. Semenyuta Vasyl V. Kovalishyn Sergiy P. Rogalsky Kateryna Yu Derevianko Volodymyr S. Brovarets Igor V. Tetko |
| author_sort | Larysa O. Metelytsia |
| collection | DOAJ |
| description | A previously developed model to predict antibacterial activity of ionic liquids against a resistant <i>A. baumannii</i> 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 C<sub>8</sub>, C<sub>10</sub>, and C<sub>12</sub> alkyl chain length were synthesized and tested in vitro. Experimental studies confirmed their activity against <i>A. baumannii</i> as well as showed pronounced antioxidant properties. These results suggest that phosphonium ionic liquids could be promising lead structures against <i>A. baumannii</i>. |
| first_indexed | 2024-03-09T11:14:49Z |
| format | Article |
| id | doaj.art-4d083075b2f14074aee1cc0dcc6bca4f |
| institution | Directory Open Access Journal |
| issn | 2079-6382 |
| language | English |
| last_indexed | 2024-03-09T11:14:49Z |
| publishDate | 2022-04-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Antibiotics |
| spelling | doaj.art-4d083075b2f14074aee1cc0dcc6bca4f2023-12-01T00:32:48ZengMDPI AGAntibiotics2079-63822022-04-0111449110.3390/antibiotics11040491Theoretical and Experimental Studies of Phosphonium Ionic Liquids as Potential Antibacterials of MDR <i>Acinetobacter baumannii</i>Larysa O. Metelytsia0Diana M. Hodyna1Ivan V. Semenyuta2Vasyl V. Kovalishyn3Sergiy P. Rogalsky4Kateryna Yu Derevianko5Volodymyr S. Brovarets6Igor V. Tetko7V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Science of Ukraine, 1 Murmanska Street, 02094 Kyiv, UkraineV.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Science of Ukraine, 1 Murmanska Street, 02094 Kyiv, UkraineV.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Science of Ukraine, 1 Murmanska Street, 02094 Kyiv, UkraineV.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Science of Ukraine, 1 Murmanska Street, 02094 Kyiv, UkraineV.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Science of Ukraine, 1 Murmanska Street, 02094 Kyiv, UkraineV.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Science of Ukraine, 1 Murmanska Street, 02094 Kyiv, UkraineV.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Science of Ukraine, 1 Murmanska Street, 02094 Kyiv, UkraineInstitute of Structural Biology, Molecular Targets and Therapeutics Center, Helmholtz Munich-Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH), 85764 Neuherberg, GermanyA previously developed model to predict antibacterial activity of ionic liquids against a resistant <i>A. baumannii</i> 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 C<sub>8</sub>, C<sub>10</sub>, and C<sub>12</sub> alkyl chain length were synthesized and tested in vitro. Experimental studies confirmed their activity against <i>A. baumannii</i> as well as showed pronounced antioxidant properties. These results suggest that phosphonium ionic liquids could be promising lead structures against <i>A. baumannii</i>.https://www.mdpi.com/2079-6382/11/4/491phosphonium ionic liquidsantibacterial<i>Acinetobacter baumannii</i>antioxidantsOCHEMQSAR |
| spellingShingle | Larysa O. Metelytsia Diana M. Hodyna Ivan V. Semenyuta Vasyl V. Kovalishyn Sergiy P. Rogalsky Kateryna Yu Derevianko Volodymyr S. Brovarets Igor V. Tetko Theoretical and Experimental Studies of Phosphonium Ionic Liquids as Potential Antibacterials of MDR <i>Acinetobacter baumannii</i> Antibiotics phosphonium ionic liquids antibacterial <i>Acinetobacter baumannii</i> antioxidants OCHEM QSAR |
| title | Theoretical and Experimental Studies of Phosphonium Ionic Liquids as Potential Antibacterials of MDR <i>Acinetobacter baumannii</i> |
| title_full | Theoretical and Experimental Studies of Phosphonium Ionic Liquids as Potential Antibacterials of MDR <i>Acinetobacter baumannii</i> |
| title_fullStr | Theoretical and Experimental Studies of Phosphonium Ionic Liquids as Potential Antibacterials of MDR <i>Acinetobacter baumannii</i> |
| title_full_unstemmed | Theoretical and Experimental Studies of Phosphonium Ionic Liquids as Potential Antibacterials of MDR <i>Acinetobacter baumannii</i> |
| title_short | Theoretical and Experimental Studies of Phosphonium Ionic Liquids as Potential Antibacterials of MDR <i>Acinetobacter baumannii</i> |
| title_sort | theoretical and experimental studies of phosphonium ionic liquids as potential antibacterials of mdr i acinetobacter baumannii i |
| topic | phosphonium ionic liquids antibacterial <i>Acinetobacter baumannii</i> antioxidants OCHEM QSAR |
| url | https://www.mdpi.com/2079-6382/11/4/491 |
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