In this work two Schiff base complexes, [Co L1) 2]ClO4⋅H2O (1) and [CuL2]ClO4 (2), were synthesized from the 1:1 and 1:2 condensation reaction between amifampridine (AMP) and salicylaldehyde (SAL), in the presence of Co(II) and Cu(II) metal ions, respectively. Both the above complexes were synthesized and characterized using CHN elemental analysis, FT-IR and UV-Vis spectroscopies and X-Ray crystal structure analysis. The Co(III) ion in 1 is in an octahedral cis-O2N4 coordination environment coordinated by two tridentate [L1] ligands. The coordination geometry of the Cu(II) ion in 2 is slightly distorted square-planar, formed by two N atoms and two O atoms from the tetradentate salpyr [L2] ligand. The biological properties of 1 and 2 including in vitro anticancer activity via MTT assay and molecular docking simulation with the DNA (PDB ID: 1BNA) and SARS-CoV-2 essential proteins (PDB IDs: 6VSB, 7BZ5, 6VW1, 6LU7, 7C8U, 6W02, 6W4B, 7QIF and 7BW4) were also studied. The AutoDock Vina (Vina) simulation showed that 1 and 2 bind to DNA via a minor groove binding mode. Also, the anticancer activity of 1 and 2 against MCF-7 and normal HEK-293 cell lines was evaluated and compared with cisplatin (CP) as a reference anticancer drug. The obtained binding affinity values by Vina indicated that 1 and 2 have favorable binding affinity compared to amifampridine itself (AMP) and favipiravir (FAV), hydroxychloroquine (HCQ) and remdesivir (RDV) as the potent anti-COVID-19 agents.
