Investigating the Antimicrobial, Antidiabetes, and Antioxidant Potential of Hydroxyl‐Containing Schiff Bases, In Vitro, and Computational Studies

Abstract Four azomethine compounds ( L 1 –L 4 ) derived from the reaction of p ‐hydroxybenzaldehyde and various primary amines are reported herein. Various analytical and spectroscopic techniques were employed to characterize the synthesized compounds. The antidiabetic properties of L 1 –L 4 were evaluated by exploring α‐amylase and α‐glucosidase assays, where L 2 and L 3 displayed good antidiabetic properties with an IC 50 values of 0.06 and 0.03 mg/ml for the α‐amylase assay, respectively, better than the acarbose (standard drug) with IC 50 value of 0.08 mg/ml. With the exception of L4, the antioxidant activity of L 1 –L 4 showed good nitric oxide radical scavenging capacity and their significant DPPH free radical scavenging ability. The antibacterial activities of the compounds are dose‐dependent, and compounds L 1 and L 2 showed notable activities. Computational studies of L 1 –L 4 using density functional theory and the molecular docking methods indicated that L 2 had an energy gap of 7.10 eV, making it the least reactive, while L 3 had an energy gap of 6.52 eV, making it the most chemically reactive.