Mapping pilicide anti-virulence effect in Escherichia coli, a comprehensive structure-activity study
Pilicides prevent pili formation and thereby the development of bacterial biofilms in Escherichia coli. We have performed a comprehensive structure activity relationship (SAR) study of the dihydrothiazolo ring-fused 2-pyridone pilicide central fragment by varying all open positions. Orthogonal projections to latent structures discriminant analysis (OPLS-DA) was used to distinguish active from inactive compounds in which polarity proved to be the most important factor for discrimination. A quantitative SAR (QSAR) partial least squares (PLS) model was calculated on the active compounds for prediction of biofilm inhibition activity. In this model, compounds with high inhibitory activity were generally larger, more lipophilic, more flexible and had a lower HOMO. Overall, this resulted in both highly valuable SAR information and potent inhibitors of type 1 pili dependent biofilm formation. The most potent biofilm inhibitor had an EC50 of 400 nM.
Chorell, Erik,Pinkner, Jerome S.,Bengtsson, Christoffer,Banchelin, Thomas Sainte-Luce,Edvinsson, Sofie,Linusson, Anna,Hultgren, Scott J.,Almqvist, Fredrik
p. 3128 - 3142
(2012/06/29)
Design and synthesis of fluorescent pilicides and curlicides: Bioactive tools to study bacterial virulence mechanisms
Pilicides and curlicides are compounds that block the formation of the virulence factors pili and curli, respectively. To facilitate studies of the interaction between these compounds and the pili and curli assembly systems, fluorescent pilicides and curl
Chorell-, Erik,Pinkner, Jerome S.,Bengtsson, Christoffer,Edvinsson, Sofie,Cusumano, Corinne K.,Rosenbaum, Erik,Johansson, Lennart B. A.,Hultgren, Scott J.,Almqvist, Fredrik
p. 4522 - 4532
(2012/05/05)
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