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Title: Structure based discovery of small molecule suppressors targeting bacterial lysozyme inhibitors
Authors: Voet, Arnout
Callewaert, Lien
Ulens, Tim
Vanderkelen, Lise
Van Herreweghe, Joris
Michiels, Chris W
De Maeyer, Marc # ×
Issue Date: Jan-2011
Publisher: Academic Press
Series Title: Biochemical and Biophysical Research Communications vol:405 issue:4 pages:527-532
Abstract: The production of lysozyme inhibitors, competitively binding to the lysozyme active site, is a bacterial strategy to prevent the lytic activity of host lysozymes. Therefore, suppression of the lysozyme-inhibitor interaction is an interesting new approach for drug development since restoration of the bacterial lysozyme sensitivity will support bacterial clearance from the infected sites. Using molecular modelling techniques the interaction of the Salmonella PliC inhibitor with c-type lysozyme was studied and a protein-protein interaction based pharmacophore model was created. This model was used as a query to identify molecules, with potential affinity for the target, and subsequently, these molecules were filtered using molecular docking. The retained molecules were validated as suppressors of lysozyme inhibitory proteins using in vitro experiments revealing four active molecules.
URI: 
ISSN: 0006-291X
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Biochemistry, Molecular and Structural Biology Section
Centre for Food and Microbial Technology
× corresponding author
# (joint) last author

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