A combined in silico and microbiological approach for the identification of novel efflux pump inhibitors against AcrAB-TolC /
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(Published version)
Date
2021
Authors
Pisoni, Lily Adelaide
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Type:
thesis
Citation
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Abstract
This thesis details a combined docking and ligand-based in silico model, developed using the OpenEye software suite, for the identification of inhibitors of the substratere cognition subunit of the bacterial efflux pump AcrAB-TolC in Escherichia coli. Components of this model were used to predict the binding of a series of newly synthesised compounds (4-substituted quinazoline-2-carboxamide derivatives), a database of Food and Drug Administration (FDA) approved drugs and compounds isolated from the Australian plant Eremophila galeata (Scrophulariaceae). Consistent with the in silico predictions, the best performing compounds: newly synthesised A-GXJ-15, FDA approved compound ivacaftor and a serrulatane natural product were shown to potentiate the effect of antimicrobials against wild-type E. coli BW25113 and decrease the efflux of Nile red in E. coli overexpressing AcrAB-TolC.
School/Discipline
University of South Australia. UniSA Clinical and Health Sciences.
UniSA Clinical and Health Sciences
UniSA Clinical and Health Sciences
Dissertation Note
Thesis (PhD(Pharmaceutical Science))--University of South Australia, 2021.
Provenance
Copyright 2021 Lily Adelaide Pisoni
Description
1 ethesis (xx, 407, [72] pages) :
colour illustrations, charts.
Includes bibliographical references (pages 173-187)
colour illustrations, charts.
Includes bibliographical references (pages 173-187)
Access Status
506 0#$fstar $2Unrestricted online access