Rational synthesis of Azo ligands and copper complexes: Insights into potential therapeutic agents

•In the pursuit of innovation, four distinct mono Azo dyes D1-D4 were synthesized.•Subsequently, these Azo ligands are transformed into copper Azo complexes, namely (D1CuC-D4CuC).•These Azo dyes and their copper complexes were characterized using FTIR, 1H NMR, 13C NMR, and UV–visible spectroscopy.•Protein-ligand docking approach was used for binding affinity to an anti-oxidant receptor protein (PDB ID:2HCK) which showed excellent binding interactions.•The findings from an in vitro antioxidant activity using the DPPH scavenging method exhibited that complexes are more active than ligands. In the pursuit of innovation, four distinct mono Azo dyes D1-D4 were synthesized. These dyes were crafted through a coupling reaction involving 1-naphthol, resorcinol and salicylic acid with diazonium salts derived from a diverse array of aromatic amines, including aniline and sulphanilic acid. Subsequently, they are transformed into copper Azo complexes, namely (D1CuC-D4CuC). The structural underpinnings of these mono Azo dyes and their corresponding copper complexes were unveiled using an arsenal of analytical techniques: FTIR, 1H NMR, 13C NMR, and UV-visible spectroscopy which unequivocally confirmed their synthesis. A computational protein-ligand docking approach was used to assess the binding affinity of ligands and metal complexes to an anti-oxidant receptor protein (PDB ID:2HCK) which showed excellent binding interactions. The findings from an in vitro antioxidant activity using the DPPH scavenging method exhibited: Complexes > Ligands. As an antioxidant agent, the synthesized compounds may prove to be a great therapeutic option. This research introduces a novel approach by utilizing Azo dyes as ligands, leveraging their exceptional electronic tunability and stability to form innovative copper complexes. Their pharmacological applications will be explored, potentially yielding drugs with improved efficacy and selectivity. [Display omitted]