Novel alpha-functionalized nickel( <scp>ii</scp> ) phthalocyanines: photochemical, antioxidant, antibacterial, cytotoxicity studies and theoretical insights

. Molecule (2a) showed the highest antibacterial activity with a 12 mm inhibition zone. The phthalocyanines (1a-4a) did not exhibit cytotoxic activity in the MTT assay against HEK 293 cells. In conclusion, Gaussian calculations were used to investigate the synthesis of target nickel(II) phthalocyanines (1a-4a). These computations were performed at the B3LYP, HF, and M062X levels, and the basis set utilized was 6-31++G(d,p). Proteins such as zinc superoxide dismutase protein (PDB ID: 1CB4), human peroxiredoxin 5 protein (PDB ID: 1H2D), and FabH inhibitor protein (PDB ID: 4Z8D) were among those that were subjected to molecular docking calculations.