Design, synthesis, and biological evaluation of novel imidazole–morpholinone hybrids as broad-spectrum antimicrobial agents: molecular docking, DFT, and ADMET studies

Key Points

• This research aims to design and evaluate new imidazole–morpholinone hybrids for their antimicrobial properties.
• Synthesized imidazole–morpholinone hybrids through five-step convergent synthesis via Suzuki–Miyaura coupling.
• Performed molecular docking to assess the interaction with DNA gyrase.
• Conducted DFT and ADMET studies to evaluate pharmacokinetic properties.
• Lead compound 10c shows potent broad-spectrum antimicrobial activity against various pathogens.
• 10c inhibits DNA gyrase effectively, indicating a novel mechanism for antimicrobial action.
• The hybrids presented favorable drug-like pharmacokinetic profiles.