Computer-aided identification of recognized drugs as Pseudomonas aeruginosa quorum-sensing inhibitors
Publication: Research - peer-review › Journal article – Annual report year: 2009
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.
| Original language | English |
|---|---|
| Journal | Antimicrobial Agents and Chemotherapy |
| Publication date | 2009 |
| Volume | 53 |
| Journal number | 6 |
| Pages | 2432-2443 |
| ISSN | 0066-4804 |
| DOIs | |
| State | Published |
| Citations | Web of Science® Times Cited: 42 |
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Keywords
- BACTERIAL BIOFILMS, DNA RELEASE, MOLECULAR DOCKING, INFECTIONS, INVOLVEMENT, POLYMORPHONUCLEAR LEUKOCYTES, LACTONE, VIRULENCE FACTORS, ANTIBIOTIC-RESISTANCE, AUTOINDUCER
ID: 4019611