Virtual screening for novel quorum sensing inhibitors to eradicate biofilm formation of Pseudomonas aeruginosa

Appl Microbiol Biotechnol. 2008 May;79(1):119-26. doi: 10.1007/s00253-008-1406-5. Epub 2008 Mar 11.


The automated docking program DOCK 5.3.0 was applied to screening for quorum sensing inhibitors (QSIs) of Peudomonus aeruginosa from a database containing 51 active components of Traditional Chinese Medicines with antibacterial activity. Five potential QSIs were revealed by the computer-based virtual screening. The compounds 3, 4, 5, 6, 7 inhibit biofilm formation of P. aeruginosa at a concentration of 200 microM. Compound 4 (baicalein) does not inhibit the growth of P. aeruginosa; however, it significantly inhibits biofilm formation of the bacteria at a lower concentration of 20 microM and promoted proteolysis of the signal receptor TraR protein in Escherichia coli at 4-40 mM. Baicalein and ampicillin showed synergistic activity against P. aeruginosa. These results suggested that baicalein can interfere with quorum sensing system of P. aeruginosa and will be developed as antibacterial agent with novel target.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Anti-Bacterial Agents / pharmacology*
  • Bacterial Proteins / antagonists & inhibitors
  • Biofilms / drug effects*
  • Computer-Aided Design*
  • Databases, Factual
  • Drug Design
  • Drug Evaluation, Preclinical
  • Escherichia coli / drug effects
  • Escherichia coli / metabolism
  • Flavanones / pharmacology
  • Medicine, Chinese Traditional
  • Models, Molecular
  • Plasmids
  • Pseudomonas aeruginosa / drug effects*
  • Quorum Sensing / drug effects*


  • Anti-Bacterial Agents
  • Bacterial Proteins
  • Flavanones
  • TraR protein, Agrobacterium tumefaciens
  • baicalein