COSMO–RS based prediction and screening of antimicrobial activities of deep eutectic solvents

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.

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Abstract

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.

Item Type:	Conference or Workshop Item (Invited Papers)
Uncontrolled Keywords:	Deep eutectic solvents; Active pharmaceutical ingredients, COSMO–RS, Antimicrobial activity
Subjects:	H Social Sciences > HD Industries. Land use. Labor > HD9016.5 Halal Science Q Science > QD Chemistry R Medicine > RS Pharmacy and materia medica > RS403 Materia Medica-Pharmaceutical Chemistry
Kulliyyahs/Centres/Divisions/Institutes (Can select more than one option. Press CONTROL button):	International Institute for Halal Research and Training (INHART)
Depositing User:	Dr AMAL ELGHARBAWY
Date Deposited:	05 Oct 2023 14:32
Last Modified:	05 Oct 2023 14:34
URI:	http://irep.iium.edu.my/id/eprint/107278

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