Design, Synthesis, and Molecular Docking Studies of 1,3,4-Oxadiazole Scaffolds as Potential Antimicrobial Agents

Abstract

In search of suitable antimicrobial compounds, we report here the synthesis, characterization, and biological activities of 2-((5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-arylacetamide (5a-5p). The molecules were characterized by infrared, mass, hydrogen-1 nuclear magnetic resonance (1H NMR), 13C NMR, and elemental analysis. The in vitro antimicrobial activity was investigated against pathogenic Gram-positive and Gram-negative bacterial and fungal strains. The results were explained with a molecular docking study against microbial DNA gyrase. It was found that the compounds 5h, 5i, 5j, 5k, 5l, 5n, and 5p showed significant activities against tested organisms as compared to standard drugs (fluconazole and ciprofloxacin).