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Theoretical and Experimental Studies of Phosphonium Ionic Liquids as Potential Antibacterials of MDR Acinetobacter
Larysa O Metelytsia1, Diana M Hodyna1, Ivan V Semenyuta1
1V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Science of Ukraine, 1 Murmanska Street, 02094 Kyiv, Ukraine.
Abstract:
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.
Insights
Phosphonium ionic liquids show promise as antibacterial agents against resistant Acinetobacter baumannii. These compounds also exhibit significant antioxidant properties, suggesting their potential for further development.
Area of Science:
- Antimicrobial drug discovery
- Materials science
- Computational chemistry
Background:
- Acinetobacter baumannii is a significant multidrug-resistant pathogen.
- Ionic liquids (ILs) are being explored for antimicrobial applications.
- Predictive modeling can accelerate the discovery of new antimicrobial agents.
Purpose of the Study:
- To evaluate the antibacterial and antioxidant potential of phosphonium ionic liquids (PILs).
- To validate predictive models for assessing ILs' biological activities.
- To identify promising PIL structures for combating resistant A. baumannii.
Main Methods:
- Utilized a previously developed model to predict antibacterial activity against A. baumannii.
- Developed new models based on public data to evaluate antioxidant potential.
- Synthesized six specific phosphonium salts (alkyl triphenylphosphonium and alkyl tributylphosphonium bromides with C8, C10, C12 chains).
- Performed in vitro testing for antibacterial and antioxidant activities.
Main Results:
- Experimental results confirmed the antibacterial activity of synthesized PILs against A. baumannii.
- The tested PILs demonstrated significant antioxidant properties.
- The predictive models showed good accuracy in evaluating ILs' biological activities.
Conclusions:
- Phosphonium ionic liquids are effective against multidrug-resistant A. baumannii.
- PILs possess valuable antioxidant capabilities.
- These findings highlight PILs as potential lead compounds for developing new therapeutics against A. baumannii infections.
