Combining in silico and biophysical methods for the development of Pseudomonas aeruginosa quorum sensing inhibitors: an alternative approach for structure-based …

JH Sahner, C Brengel, MP Storz, M Groh…

文献索引：Sahner, J. Henning; Brengel, Christian; Storz, Michael P.; Groh, Matthias; Plaza, Alberto; Mueller, Rolf; Hartmann, Rolf W. Journal of Medicinal Chemistry, 2013 , vol. 56, # 21 p. 8656 - 8664

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被引用次数: 15

摘要

The present work deals with the optimization of an inhibitor of PqsD, an enzyme essential for Pseudomonas aeruginosa quorum sensing apparatus. Molecular docking studies, supported by biophysical methods (surface plasmon resonance, isothermal titration calorimetry, saturation transfer difference NMR), were used to illuminate the binding mode of the 5-aryl-ureidothiophene-2-carboxylic acids. Enabled to make profound predictions, ...