期刊
CHEMMEDCHEM
卷 3, 期 8, 页码 1242-1249出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cmdc.200800076
关键词
autoinducer-2; inhibitors; molecular docking; quorum sensing; Vibrio harveyi; virtual screening
资金
- Molecular Basis of Disease program at GSU
- Georgia Research Alliance
- Georgia Cancer Coalition
Quorum sensing has been implicated in the control of pathologically relevant bacterial behavior such as secretion of virulence factors, biofilm formation, sporulation, and swarming motility. The AI-2 quorum sensing pathway is found in both Gram-positive and Gram-negative bacteria. Therefore, antagonizing Al-2 quorum sensing is a possible approach to modifying bacterial behaviour. However, efforts in developing inhibitors of Al-2-mediated quorum sensing are especially lacking. High-throughput virtual screening using the V. harveyi LuxP crystal structure identified two compounds that were found to antagonize Al-2-mediated quorum sensing in V. harveyi without cytotoxicity. The sulfone functionality of these inhibitors was identified as critical to their ability to mimic the natural ligand in their interactions with Arg215 and Arg310 of the active site.
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