Design, synthesis, antimicrobial evaluation, and molecular docking studies of novel symmetrical 2,5‐difunctionalized 1,3,4‐oxadiazoles

Abstract

Abstract A series of novel symmetrical 2,5‐difunctionalized 1,3,4‐oxadiazole derivatives of pharmacological significance have been synthesized. The obtained compounds were screened for their in vitro antimicrobial activities against Gram‐negative ( Escherichia coli and Salmonella typhimurium ) and Gram‐positive bacteria ( Staphylococcus aureus , Enterococcus faecium , and Streptococcus agalactiae or group B Streptococcus ), as well as against the fungus Candida albicans . Although the synthesized compounds showed moderate antifungal activity against C albicans , they exhibited good‐to‐excellent antibacterial activities against several strains, than did standard drugs ampicillin and nystatin. In silico molecular docking in FabI enzyme active site gave information regarding the binding mode of the drug candidate at the molecular level.