Design, synthesis and computational approach of vanillyl-imidazolidinyl-sulfamethoxazole derivatives as potent antimicrobial candidates tackling microbial resistance.

ABSTRACT: Superbugs are dominating the world due to the misuse and overuse of antibiotics. This study designed and synthesised two sets of compounds, oxazolones (3a-3j) and their respective imidazolones (4a-4j) bearing a sulfonamide functional group, with increased efficacy and capability to tackle microbial resistance. The structural conformation of compounds was determined using different techniques, including ¹H/¹³C NMR, FT-IR, HRMS and elemental analysis. The binding affinity of the specific targets of these congeners were predicted through molecular docking. The docking results indicated that compounds 4j (-10.36 kcal mol^-1) and 4g (-8.62 kcal mol^-1) showed minimum binding energy with strong affinity against target penicillin-binding protein 2a of met

SUBMITTER: Panda PK 

PROVIDER: S-EPMC12183569 | biostudies-literature | 2025 Aug

REPOSITORIES: biostudies-literature