Discovery and Characterization of a Class of Pyrazole Inhibitors of Bacterial Undecaprenyl Pyrophosphate Synthase

Undecaprenyl pyrophosphate synthase (UppS) is an essential enzyme in bacterial cell wall synthesis. Here we report the discovery of Staphylococcus aureus UppS inhibitors from an Encoded Library Technology screen and demonstrate binding to the hydrophobic substrate site through cocrystallography stud...

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Veröffentlicht in:Journal of medicinal chemistry 2016-08, Vol.59 (15), p.7299-7304
Hauptverfasser: Concha, Nestor, Huang, Jianzhong, Bai, Xiaopeng, Benowitz, Andrew, Brady, Pat, Grady, LaShadric C, Kryn, Luz Helena, Holmes, David, Ingraham, Karen, Jin, Qi, Pothier Kaushansky, Laura, McCloskey, Lynn, Messer, Jeffrey A, O’Keefe, Heather, Patel, Amish, Satz, Alexander L, Sinnamon, Robert H, Schneck, Jessica, Skinner, Steve R, Summerfield, Jennifer, Taylor, Amy, Taylor, J. David, Evindar, Ghotas, Stavenger, Robert A
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Sprache:eng
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Zusammenfassung:Undecaprenyl pyrophosphate synthase (UppS) is an essential enzyme in bacterial cell wall synthesis. Here we report the discovery of Staphylococcus aureus UppS inhibitors from an Encoded Library Technology screen and demonstrate binding to the hydrophobic substrate site through cocrystallography studies. The use of bacterial strains with regulated uppS expression and inhibitor resistant mutant studies confirmed that the whole cell activity was the result of UppS inhibition, validating UppS as a druggable antibacterial target.
ISSN:0022-2623
1520-4804
DOI:10.1021/acs.jmedchem.6b00746