Antibacterial performance enhancement using hydrophobic deep eutectic solvents: COSMO-RS prediction, experimental validation, and synergistic action with antibiotics

Elgharbawy, Amal A. M. and Khan, Huma Warsi and Noor, Najihah Mohd and Putra, Sharifah Shahira Syed and Ismail, Engku Normi Engku and Hizaddin, Hanee Farzana and Hayyan, Maan and Hayyan, Adeeb and Basirun, Wan Jefrey and Moniruzzaman, Muhammad and Al-afandi, Lama and Sani, Muhamad Shirwan Abdullah (2024) Antibacterial performance enhancement using hydrophobic deep eutectic solvents: COSMO-RS prediction, experimental validation, and synergistic action with antibiotics. Journal of Molecular Liquids, 396. p. 124008. ISSN 0167-7322, DOI https://doi.org/10.1016/j.molliq.2024.124008.

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Official URL: https://doi.org/10.1016/j.molliq.2024.124008

Abstract

Microbial infection is a hazardous and challenging clinical problem that has attracted considerable attention recently, primarily owing to the noticeable rise in antimicrobial resistance. To address the medical requirements to encounter this dilemma, we present hydrophobic deep eutectic solvents (HDESs) that combine experimental research and computational prediction; conductor-like screening model for real solvents (COSMO-RS). Mentholbased HDESs were successfully obtained when mixed with fatty acids, and their thermal profiles were analyzed. The HDES systems and their synergistic effects demonstrated potent antimicrobial activity against Gram-positive and Gram-negative bacteria, with DES 4 (menthol:decanoic acid) exhibiting the highest bactericidal activity at a molar ratio of 1:5. The interaction between the HDESs and bacterial cell wall structural compounds was confirmed by field-emission scanning electron microscopy and Fourier transform infrared spectroscopy. The results revealed a favorable concurrence between the projected and empirical outcomes, indicating that DES 4 exhibited bacteriostatic properties and could be a viable substitute for managing bacterial infections of diverse origins. In addition, the synergistic effect of DES 4 and tetracycline showed promising potential. The successful integration of experimental and computational approaches in this study also sets a precedent for the rational design of future antimicrobial agents and opens new avenues for tackling other clinical challenges.

Item Type: Article
Funders: Fundamental Research Grant Scheme (FRGS) by the Ministry of Higher Education, Malaysia (FRGS/1/2021/STG02/UIAM/03/1)
Uncontrolled Keywords: Green antibacterial agent; Ionic liquid; Bacterial infection; Antimicrobial resistance; Synergistic effect; Hydrophobic deep eutectic solvents
Subjects: Q Science > QD Chemistry
T Technology > TP Chemical technology
Divisions: Faculty of Engineering > Department of Chemical Engineering
Faculty of Science > Department of Chemistry
Depositing User: Ms. Juhaida Abd Rahim
Date Deposited: 12 Nov 2024 02:08
Last Modified: 12 Nov 2024 02:08
URI: http://eprints.um.edu.my/id/eprint/45773

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