Synthesis and molecular docking studies of chrysin derivatives as antibacterial agents

In order to search for drugs with excellent antibacterial activities, a series of novel chrysin derivatives were designed, synthesized, and evaluated as antibacterial agents. Results of the preliminary antibacterial tests against six human pathogenic bacteria in vitro showed that these compounds exhibited activities to some extent, and some displayed excellent activities than the natural parent chrysin, while some were even more potent than the positive drug Penicillin. Moreover, the molecular model for the binding between compound 8c and the active site of Escherichia coli beta-ketoacyl-acyl carrier protein synthase III (Escherichia coli FabH) was provided on the basis of the computational docking results.