COSMO–RS based prediction and screening of antimicrobial activities of deep eutectic solvents
In this study, 18 various types of DESs were screened using COSMO–RS analysis, those DESs consisted of urea, thymol, menthol, and six different fatty acids. To be able to achieve the objective of this study which is to investigate the antimicrobial activity of the various DESs screened, the COSMO–RS...
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Online Access: | http://irep.iium.edu.my/107278/1/107278_COSMO%E2%80%93RS%20based%20prediction.pdf http://irep.iium.edu.my/107278/ https://books.aijr.org/index.php/press/catalog/book/155/chapter/2494 https://doi.org/10.21467/abstracts.155 |
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my.iium.irep.1072782023-10-05T06:34:12Z http://irep.iium.edu.my/107278/ COSMO–RS based prediction and screening of antimicrobial activities of deep eutectic solvents Alafandi, Lama Elgharbawy, Amal A.M. Engku Ismail, Engku Normi HD9016.5 Halal Science QD Chemistry RS403 Materia Medica-Pharmaceutical Chemistry In this study, 18 various types of DESs were screened using COSMO–RS analysis, those DESs consisted of urea, thymol, menthol, and six different fatty acids. To be able to achieve the objective of this study which is to investigate the antimicrobial activity of the various DESs screened, the COSMO–RS analysis was conducted using 4 bacterial cell wall components (2,6-diaminopimelic-acid, N-Acetyl-a-neuraminic-acid, N_Acetyl_Muramic_acid, N_Acetyl_D_Glucosamine), to observe the interaction of the DESs with the bacterial cell. As a result, the σ-profiling and the σ-potential showed that the most interactive DESs against microbial cells were Decanoic acid based. The importance of this study is due to its time-resource saving in the screening of biochemical materials. AIJR Publisher 2023-08-22 Proceeding Paper PeerReviewed application/pdf en http://irep.iium.edu.my/107278/1/107278_COSMO%E2%80%93RS%20based%20prediction.pdf Alafandi, Lama and Elgharbawy, Amal A.M. and Engku Ismail, Engku Normi (2023) COSMO–RS based prediction and screening of antimicrobial activities of deep eutectic solvents. In: International Halal Science Conference 2023 (IHASC23), IIUM, Malaysia. https://books.aijr.org/index.php/press/catalog/book/155/chapter/2494 https://doi.org/10.21467/abstracts.155 |
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HD9016.5 Halal Science QD Chemistry RS403 Materia Medica-Pharmaceutical Chemistry Alafandi, Lama Elgharbawy, Amal A.M. Engku Ismail, Engku Normi COSMO–RS based prediction and screening of antimicrobial activities of deep eutectic solvents |
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In this study, 18 various types of DESs were screened using COSMO–RS analysis, those DESs consisted of urea, thymol, menthol, and six different fatty acids. To be able to achieve the objective of this study which is to investigate the antimicrobial activity of the various DESs screened, the COSMO–RS analysis was conducted using 4 bacterial cell wall components (2,6-diaminopimelic-acid, N-Acetyl-a-neuraminic-acid, N_Acetyl_Muramic_acid, N_Acetyl_D_Glucosamine), to observe the interaction of the DESs with the bacterial cell. As a result, the σ-profiling and the σ-potential showed that the most interactive DESs against microbial cells were Decanoic acid based. The importance of this study is due to its time-resource saving in the screening of biochemical materials. |
format |
Proceeding Paper |
author |
Alafandi, Lama Elgharbawy, Amal A.M. Engku Ismail, Engku Normi |
author_facet |
Alafandi, Lama Elgharbawy, Amal A.M. Engku Ismail, Engku Normi |
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 |
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AIJR Publisher |
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2023 |
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http://irep.iium.edu.my/107278/1/107278_COSMO%E2%80%93RS%20based%20prediction.pdf http://irep.iium.edu.my/107278/ https://books.aijr.org/index.php/press/catalog/book/155/chapter/2494 https://doi.org/10.21467/abstracts.155 |
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