Synthesis, structural characterization, and thermal studies of 3d-metal complexes derived from a thiazole-based ligand: Multifaceted biological properties and molecular docking studies

Abstract

A novel series of 3d metal (Co(II), Ni(II), Cu(II) and Zn(II)) complexes derived from a N-(2-chlorophenyl)-2-(1,3-thiazol-2-ylamino)acetamide (CTA) ligand was reported and investigated by IR, 1H{13C NMR}, elemental analyses, mass, and UV–Vis spectroscopy which revealed an octahedral geometry around studied metal ions. The ligand and its metal complexes were screened for antimicrobial, antioxidant, antihemolytic, and cytotoxic activities. All metal complexes were found to have high bio-effectiveness when compared to ligand. Furthermore, molecular docking was used with the EGFR receptor (PDB ID: 2A91) to determine the strength of interactions between metal complexes and their ligand. In addition, MTT assays and molecular docking studies were used to examine the anticancer potential on Hep G2, P53, and Hela cell lines. The docking scores of all complexes were essentially the same with slight variations, but they were higher than their ligand, suggesting that all complexes exhibited comparable pharmacological patterns against the EGFR receptor.