Applied Chemistry, Vol.11, No.1, 101-104, May, 2007
Design, synthesis, and screening of new quorum-sensing antagonists based on molecular docking scores
A new series of 5 analogues of N-nicotinyl-L-homoserine lactones and 3 analogues of N-sulfonyl-L-homoserine lactones were designed by molecular modeling using SYBYL packages and synthesized by means of the solid phase organic synthesis method. This was followed by a bacterial test designed to confirm their quorum-sensing inhibition ability, antifouling ability, and antibacterial efficacy. The 8 synthesized compounds were found to be effective as quorum-sensing antagonists, and they were also proven to have antibacterial effects.
Keywords:quorum-sensing inhibitors;antagonist;N-nicotinyl-L-homoserine lactones;N-sulfonyl-L-homoserine lactones;binding energies;FlexX docking[1]