Synthesis, spectroscopic characterization, and biological evaluation of novel mixed ligand bis-azo dye complexes and study antimicrobial, anticancer, and molecular docking

Compounds were synthesized utilizing the innovative ligand bis azo dye N, N’-bis-2(2-Naphthol)-o-tolidine (BNT) in conjunction with 8-hydroxyquinoline to create a novel Au(III), Pt(IV) and Ag(I) mixed-ligand complexes. Analytical techniques employed include elemental analysis (C.H.N), crystal structure determination (XRD), molar conductance, and spectral methods such as FT-IR, 1H-NMR, FE-SEM, UV-Vis, and mass spectrometry. The spectral analysis of the complex reveals that the ligand (BNT) coordinates in a neutral tridentate fashion, utilizing the nitrogen atoms of the azo group and the oxygen atoms of the hydroxyl group to interact with (8HQ) and the metal ion, thereby forming the coordination complex. The novel ligand bis azo dye and Au(III) mixed-ligand complex have been recognized for their antioxidative and anticancer properties. The antibacterial effectiveness of the Au(III) mixed ligand complex was assessed against two (gram-positive and gram-negative) bacteria and one fungus. The Au(III) mixed-ligand complex demonstrated significant antioxidative and anticancer efficacy against the proliferation of human lung cancer cells. We employed molecular docking to ascertain the binding affinity of these drugs with lung cancer, thereby gaining insights into molecular interactions. Phosphatidylinositol-3-kinase α (PI3Kα) is represented by PDB IDs: 4JPS and 6PWA, and the compounds exhibited the highest docking score, which corroborates our experimental results and suggests beneficial interactions with protein substrates. Our ADME predictions further supported the compounds’ viability as lead treatment candidates.