Computer-aided identification of recognized drugs as Pseudomonas aeruginosa quorum-sensing inhibitors

Antimicrob Agents Chemother. 2009 Jun;53(6):2432-43. doi: 10.1128/AAC.01283-08. Epub 2009 Apr 13.

Abstract

Attenuation of Pseudomonas aeruginosa virulence by the use of small-molecule quorum-sensing inhibitors (referred to as the antipathogenic drug principle) is likely to play a role in future treatment strategies for chronic infections. In this study, structure-based virtual screening was used in a search for putative quorum-sensing inhibitors from a database comprising approved drugs and natural compounds. The database was built from compounds which showed structural similarities to previously reported quorum-sensing inhibitors, the ligand of the P. aeruginosa quorum-sensing receptor LasR, and a quorum-sensing receptor agonist. Six top-ranking compounds, all recognized drugs, were identified and tested for quorum-sensing-inhibitory activity. Three compounds, salicylic acid, nifuroxazide, and chlorzoxazone, showed significant inhibition of quorum-sensing-regulated gene expression and related phenotypes in a dose-dependent manner. These results suggest that the identified compounds have the potential to be used as antipathogenic drugs. Furthermore, the results indicate that structure-based virtual screening is an efficient tool in the search for novel compounds to combat bacterial infections.

MeSH terms

  • Anti-Bacterial Agents / pharmacology*
  • Bacterial Proteins / antagonists & inhibitors*
  • Biofilms / drug effects
  • Chlorzoxazone / pharmacology*
  • Computer-Aided Design
  • Dose-Response Relationship, Drug
  • Hydroxybenzoates / pharmacology*
  • Nitrofurans / pharmacology*
  • Pseudomonas aeruginosa / drug effects*
  • Pseudomonas aeruginosa / pathogenicity
  • Quorum Sensing / drug effects*
  • Salicylic Acid / pharmacology*
  • Trans-Activators / antagonists & inhibitors*
  • Virulence Factors / biosynthesis

Substances

  • Anti-Bacterial Agents
  • Bacterial Proteins
  • Hydroxybenzoates
  • LasR protein, Pseudomonas aeruginosa
  • Nitrofurans
  • Trans-Activators
  • Virulence Factors
  • Chlorzoxazone
  • Salicylic Acid
  • nifuroxazide