Design, synthesis, theoretical studies, and biological activity evaluation of new nitrogen-containing poly heterocyclic compounds as promising antimicrobial agents

The increasing threat of antibiotic resistance has led to a pressing need for the development of new antimicrobial agents. Nitrogen-containing heterocycles are widely used in the development of drugs due to their broad spectrum of pharmacological activities, including antimicrobial properties. In this study, a series of 13 hybrid molecules containing two to four nitrogen heterocycles were designed using the molecular hybridization approach. The synthesized compounds were characterized and their antimicrobial properties were examined against two bacterial strains and a Candida strain. The most promising compounds were found to be those bearing the quinoline unit, exhibiting a MIC of less than 31.25 mu g/mL against S. typhimurium and Bacillus subtilis. Molecular docking studies revealed that these compounds have excellent affinity with the DNA gyrase enzyme, making them potential candidates for further development as antimicrobial agents.