Purpose: To synthesize, and determine the antibacterial activity and binding mode of new pyrazolbarbituric
acid derivatives in a search for new antimicrobial agents.
Methods: One-pot multi-component reaction of aldehyde derivatives, barbituric acid and 3-methyl-1-phenyl-1H-pyrazol-5(4H)-one in the presence of NHEt
2 to afford Michael adduct was carried out. The
reaction was carried out in water and afforded new heterocycles in a one-step fashion, with expedient
work-up and high yield without extraction and purification steps. The synthesized compounds were
evaluated for antimicrobial activity using agar disc diffusion. Molecular docking approach via MOE-Dock
program was applied to predict the binding interactions of some of the new pyrazol-barbituric acid
derivatives against six different target proteins downloaded from Protein Data Bank.
Results: A series of pyrazole-barbituric acid derivatives were successfully synthesized and
characterized. The synthesized compounds showed moderate to very good antibacterial activity against
S. aureus ATCC 29213 and E. faecalis ATCC29212, as well as also antifungal activity against
Candida albicans
ATCC 10400
Conclusion: A series of pyrazole-barbituric acid derivatives has been synthesized and some of them
display antimicrobial activities.
