Synthesis, antibacterial activity and molecular docking studies of new pyrazole derivatives

Abstract

Background: The pyrazole structure is an important heterocyclic structure and plays critical roles in agriculture, industrial and medicine. Furthermore, compounds containing pyrazole are known to exhibit various biological properties such as antibacterial, antifungal, anticancer, anti-inflammatory, antidepressant, antipyretic, antiviral, anti-tubercular and anti-HIV activities. Because of these properties, pyrazole molecules have become a very popular topic for organic chemists. Methods: A series newly substituted pyrazole molecules were synthesized and characterized. Their antimicrobial activities were investigated by disk diffusion method against some gram positive bacteria and gram negative bacteria. Results: The present results indicated that the some test compounds were active in a broad spectrum against important human pathogenic microorganisms. The substituted pyrazoles including carbazone (7a, b) and thiazolidine (8a, b) showed a wide variety of biological activities. The results showed that synthesized pyrazole, compounds 7b and 8b are highly active and more potent in both biological and molecular docking simulation studies. Conclusion: The synthesized pyrazole molecules showed moderate antibacterial activities against the tested microorganism compared to antibiotic drug. Some test compounds (7b and 8b) might be used as new antibacterial agents.