In Silico Prediction And In Vitro Evaluation Of Caffeic Acid And Its Derivatives As Potential Efflux Pump Inhibitor(S) In Pseudomonas Aeruginosa

Pseudomonas aeruginosa is a bacterial pathogen that is intrinsically resistant towards various antibiotics. The main factors that contribute to this intrinsic resistance are due to the lower outer membrane permeability and expression of multiple efflux pumps. One of the promising strategies to circu...

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Main Author:	Zakaria, Noor Zawani
Format:	Thesis
Language:	English
Published:	2019
Subjects:	RS1-441 Pharmacy and materia medica
Online Access:	http://eprints.usm.my/46623/1/NOOR%20ZAWANI%20BINTI%20ZAKARIA24.pdf
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id	my-usm-ep.46623
record_format	uketd_dc
spelling	my-usm-ep.466232020-06-26T02:59:24Z In Silico Prediction And In Vitro Evaluation Of Caffeic Acid And Its Derivatives As Potential Efflux Pump Inhibitor(S) In Pseudomonas Aeruginosa 2019-06 Zakaria, Noor Zawani RS1-441 Pharmacy and materia medica Pseudomonas aeruginosa is a bacterial pathogen that is intrinsically resistant towards various antibiotics. The main factors that contribute to this intrinsic resistance are due to the lower outer membrane permeability and expression of multiple efflux pumps. One of the promising strategies to circumvent the problem of bacterial resistance is the use of efflux pump inhibitor (EPI). In this study, the efflux pump inhibitory potential of caffeic acid and its derivatives were predicted using in silico molecular docking, and accessed using in vitro ethidium bromide (EtBr) accumulation assay. Two proteins (MexB and MexY) that play important roles in the effluxing of antibiotics in P. aeruginosa were used as the target proteins. Based on the protein-ligand interaction studies, caffeic acid phenethyl ester (CAPE) and caffeic acid phenethyl amide (CAPA) that scored the lowest free energy of binding in both proteins were identified as potential EPI candidates. The potential of caffeic acid, CAPE and CAPA to act as EPIs in P. aeruginosa was evaluated using ethidium bromide (EtBr) accumulation assay. Among the three compounds tested, CAPE was found to significantly increase the intracellular accumulation of EtBr in P. aeruginosa. An increase of 21.4% in fluorescence over 5- min time frame was observed in P. aeruginosa. This suggests that CAPE was able to disrupt or compromise the efflux pumps, thus leading to the accumulation of EtBr in these bacterial cells. 2019-06 Thesis http://eprints.usm.my/46623/ http://eprints.usm.my/46623/1/NOOR%20ZAWANI%20BINTI%20ZAKARIA24.pdf application/pdf en public masters Universiti Sains Malaysia Pusat Pengajian Sains Farmasi
institution	Universiti Sains Malaysia
collection	USM Institutional Repository
language	English
topic	RS1-441 Pharmacy and materia medica
spellingShingle	RS1-441 Pharmacy and materia medica Zakaria, Noor Zawani In Silico Prediction And In Vitro Evaluation Of Caffeic Acid And Its Derivatives As Potential Efflux Pump Inhibitor(S) In Pseudomonas Aeruginosa
description	Pseudomonas aeruginosa is a bacterial pathogen that is intrinsically resistant towards various antibiotics. The main factors that contribute to this intrinsic resistance are due to the lower outer membrane permeability and expression of multiple efflux pumps. One of the promising strategies to circumvent the problem of bacterial resistance is the use of efflux pump inhibitor (EPI). In this study, the efflux pump inhibitory potential of caffeic acid and its derivatives were predicted using in silico molecular docking, and accessed using in vitro ethidium bromide (EtBr) accumulation assay. Two proteins (MexB and MexY) that play important roles in the effluxing of antibiotics in P. aeruginosa were used as the target proteins. Based on the protein-ligand interaction studies, caffeic acid phenethyl ester (CAPE) and caffeic acid phenethyl amide (CAPA) that scored the lowest free energy of binding in both proteins were identified as potential EPI candidates. The potential of caffeic acid, CAPE and CAPA to act as EPIs in P. aeruginosa was evaluated using ethidium bromide (EtBr) accumulation assay. Among the three compounds tested, CAPE was found to significantly increase the intracellular accumulation of EtBr in P. aeruginosa. An increase of 21.4% in fluorescence over 5- min time frame was observed in P. aeruginosa. This suggests that CAPE was able to disrupt or compromise the efflux pumps, thus leading to the accumulation of EtBr in these bacterial cells.
format	Thesis
qualification_level	Master's degree
author	Zakaria, Noor Zawani
author_facet	Zakaria, Noor Zawani
author_sort	Zakaria, Noor Zawani
title	In Silico Prediction And In Vitro Evaluation Of Caffeic Acid And Its Derivatives As Potential Efflux Pump Inhibitor(S) In Pseudomonas Aeruginosa
title_short	In Silico Prediction And In Vitro Evaluation Of Caffeic Acid And Its Derivatives As Potential Efflux Pump Inhibitor(S) In Pseudomonas Aeruginosa
title_full	In Silico Prediction And In Vitro Evaluation Of Caffeic Acid And Its Derivatives As Potential Efflux Pump Inhibitor(S) In Pseudomonas Aeruginosa
title_fullStr	In Silico Prediction And In Vitro Evaluation Of Caffeic Acid And Its Derivatives As Potential Efflux Pump Inhibitor(S) In Pseudomonas Aeruginosa
title_full_unstemmed	In Silico Prediction And In Vitro Evaluation Of Caffeic Acid And Its Derivatives As Potential Efflux Pump Inhibitor(S) In Pseudomonas Aeruginosa
title_sort	in silico prediction and in vitro evaluation of caffeic acid and its derivatives as potential efflux pump inhibitor(s) in pseudomonas aeruginosa
granting_institution	Universiti Sains Malaysia
granting_department	Pusat Pengajian Sains Farmasi
publishDate	2019
url	http://eprints.usm.my/46623/1/NOOR%20ZAWANI%20BINTI%20ZAKARIA24.pdf
_version_	1747821699142778880

In Silico Prediction And In Vitro Evaluation Of Caffeic Acid And Its Derivatives As Potential Efflux Pump Inhibitor(S) In Pseudomonas Aeruginosa

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