Synthesis, Characterization, Anticholinesterase, and Antioxidant Properties of Quinoxalin‐2(1 H )‐One Functionalized (Benz)Imidazol‐3‐Ium Salts as Hybrid Molecules in Drug Discovery

ABSTRACT In the present study, biologically active quinoxalin‐2(1 H )‐one and (benz)imidazole scaffolds were successfully integrated into single hybrid molecules. As a result, five new quinoxalin‐2(1 H )‐one‐functionalized (benz)imidazol‐3‐ium salts were synthesized. The structures of these newly designed hybrids, synthesized for the first time, were confirmed through spectroscopic techniques and elemental analysis. The in vitro anticholinesterase activities of the hybrids were evaluated against acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). In addition, their antioxidant potentials were investigated using DPPH (1,1‐diphenyl‐2‐picrylhydrazyl) and ABTS (2,2′‐azino‐bis(3‐ethylbenzothiazoline‐6‐sulfonic acid)) radical scavenging assays, along with the CUPRAC (cupric ion reducing antioxidant capacity) method. Furthermore, molecular docking studies of the molecules were performed to investigate ligand‐residue interactions in addition to their probable binding modes in the binding site of AChE and BChE enzymes. The results obtained indicate that the synthesized hybrid molecules possess promising anticholinesterase and antioxidant properties and hold potential as therapeutic candidates for the treatment of Alzheimer's disease.