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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my.iium.irep.1101662024-03-01T09:21:31Z http://irep.iium.edu.my/110166/ COSMO-RS based prediction and screening of antimicrobial activities of Deep Eutectic Solvents Alafandi, Lama Elgharbawy, Amal A.M. Khan, Huma Warsi Amid, Azura QD Chemistry RS Pharmacy and materia medica 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. Springer Nature 2024 Book Chapter PeerReviewed application/pdf en http://irep.iium.edu.my/110166/19/110166_%20COSMO-RS%20based%20prediction%20and%20screening%20of%20antimicrobial%20activities.pdf application/pdf en http://irep.iium.edu.my/110166/25/110166_%20COSMO-RS%20based%20prediction%20and%20screening%20of%20antimicrobial%20activities_Scopus.pdf Alafandi, Lama and Elgharbawy, Amal A.M. and Khan, Huma Warsi and Amid, Azura (2024) COSMO-RS based prediction and screening of antimicrobial activities of Deep Eutectic Solvents. In: AI and Business, and Innovation Research: Understanding the Potential and Risks of AI for Modern Enterprises. Studies in Systems, Decision and Control (440). Springer Nature, Switzerland, pp. 509-517. ISBN 978-3-031-42084-9 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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QD Chemistry RS Pharmacy and materia medica Alafandi, Lama Elgharbawy, Amal A.M. Khan, Huma Warsi Amid, Azura COSMO-RS based prediction and screening of antimicrobial activities of Deep Eutectic Solvents |
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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. |
format |
Book Chapter |
author |
Alafandi, Lama Elgharbawy, Amal A.M. Khan, Huma Warsi Amid, Azura |
author_facet |
Alafandi, Lama Elgharbawy, Amal A.M. Khan, Huma Warsi Amid, Azura |
author_sort |
Alafandi, Lama |
title |
COSMO-RS based prediction and screening of antimicrobial activities of Deep Eutectic Solvents |
title_short |
COSMO-RS based prediction and screening of antimicrobial activities of Deep Eutectic Solvents |
title_full |
COSMO-RS based prediction and screening of antimicrobial activities of Deep Eutectic Solvents |
title_fullStr |
COSMO-RS based prediction and screening of antimicrobial activities of Deep Eutectic Solvents |
title_full_unstemmed |
COSMO-RS based prediction and screening of antimicrobial activities of Deep Eutectic Solvents |
title_sort |
cosmo-rs based prediction and screening of antimicrobial activities of deep eutectic solvents |
publisher |
Springer Nature |
publishDate |
2024 |
url |
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 |
_version_ |
1793147960004968448 |
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13.18916 |