Novel coumarin-1,2,3-triazole-isatin hybrids: design, synthesis, in-vitro , in-silico and SAR study for antimicrobial activity and α-glucosidase inhibition

Key Points

• The aim is to design and evaluate coumarin-1,2,3-triazole-isatin hybrids for their dual biological activity as antimicrobials and alpha-glucosidase inhibitors.
• Utilized molecular docking and MD simulation to assess protein-ligand interactions.
• Conducted DFT methods for energy calculations and stability analyses.
• Employs known PDB structures (ID: 1IYL and ID: 3AJ7).
• Confirmed stability of protein-ligand complexes through analysis of binding interactions and energy landscapes.
• Demonstrated potential dual efficacy against microbial targets and alpha-glucosidase inhibition.