Theoretical and Experimental Studies of Phosphonium Ionic Liquids as Potential Antibacterials of MDR <i>Acinetobacter baumannii</i>

• Main Authors: Larysa O. Metelytsia (Author), Diana M. Hodyna (Author), Ivan V. Semenyuta (Author), Vasyl V. Kovalishyn (Author), Sergiy P. Rogalsky (Author), Kateryna Yu Derevianko (Author), Volodymyr S. Brovarets (Author), Igor V. Tetko (Author)
• Format: Book
• Published: MDPI AG, 2022-04-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

Summary

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 C₈, C₁₀, and C₁₂ 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>.

Item Description

10.3390/antibiotics11040491
2079-6382