COSMO-RS based prediction and screening of antimicrobial activities of Deep Eutectic Solvents
Abstract A total of 18 different deep eutectic solvents (DESs) were thoroughly analyzed in this extensive study employing the most recent advances in COSMORS (Conductor-like Screening Model for Real Solvents) analytical approach. To establish a broad and representative sample for the study, these...
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Main Authors: | , , , |
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Format: | Book Chapter |
Language: | English English |
Published: |
Springer Nature
2024
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Subjects: | |
Online Access: | http://irep.iium.edu.my/110166/19/110166_%20COSMO-RS%20based%20prediction%20and%20screening%20of%20antimicrobial%20activities.pdf http://irep.iium.edu.my/110166/25/110166_%20COSMO-RS%20based%20prediction%20and%20screening%20of%20antimicrobial%20activities_Scopus.pdf http://irep.iium.edu.my/110166/ https://link.springer.com/chapter/10.1007/978-3-031-42085-6_43 https://doi.org/10.1007/978-3-031-42085-6_43 |
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Summary: | Abstract A total of 18 different deep eutectic solvents (DESs) were thoroughly
analyzed in this extensive study employing the most recent advances in COSMORS
(Conductor-like Screening Model for Real Solvents) analytical approach. To
establish a broad and representative sample for the study, these DESs were carefully
chosen and made up of a range of substances, including urea, thymol, menthol,
and six different fatty acids. This study’s main goal was to examine the various
DESs’ antibacterial capabilities by examining how they interacted with bacterial
cells. The study concentrated on looking at how the DESs interacted with four crucial
bacterial cell components in order to accomplish this aim. Components were 2,6-
diaminopimelic acid, N-acetyl-a-neuraminic acid, N-acetyl-muramic acid, and Nacetyl-
D-glucosamine. These elements were chosen because they play important
roles in the construction and operation of bacterial cells. The results of the research
showed that the advanced σ-profiling and σ-potential assessments offered useful
information on the most interactive and successful DESs against microbial cells.
Decanoic acid-based solvents showed the most effectiveness in interacting with the
chosen bacterial cell components among the 18 DESs tested. This study’s significance
and effects go beyond its immediate conclusions. In order to save resources
in creating new antimicrobial drugs, this study provides a simplified method for
screening biological components. Furthermore, this research opens doors for further
investigation and potential applications of these solvents in the fight against drugresistant
bacteria and the development of new therapeutic approaches for treating
infectious diseases by identifying Decanoic acid-based DESs as potent antimicrobial
candidates. |
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