Pharmacological and Computational Assessment of Co(II), Cu(II), Ni(II), and Zn(II) Schiff Base Complexes: Anticancer, Antioxidant, and Antibacterial Investigations

Abstract

Four novel mixed-ligand complexes, [Co(L1)(L2)(H2O)], [Cu(L1) (L2)(H2O)], [Ni(L1)(L2)(H2O)] and [Zn(L1)(L2)(H2O)] (L1 = Schiff base [5-(diethylamino)-2-(((4-phenylthiazol-2-yl)imino)methyl)phenol], L2 = proline have been pre-pared and identified. The synthesized complexes are characterized by molar conductance, magnetic measurements (μeff), elemental analysis (CHN), FTIR, UV–visible, ¹H NMR, ESR, mass spectrometry, and TG analysis. FTIR data are supported by density functional theory (DFT) calculations. The vi-brational frequencies of molecules were computed using optimized geome-tries performed using DFT calculations. In terms of antibacterial activity, complexes outperform mixed ligand. Anticancer activity was screened against human cancer cells such as Follicular Thyroid Cancer cells (FTC-133). The results indicate that complexes show increased cytotoxicity in the proliferation of cell lines. Antioxidant activities were shown that mixed lig-and complexes have high reactivity. Antioxidant activity determines the compounds' effect on Liver Function Enzyme (GOT, GPT, and ALP) in Sera of carbon tetrachloride-treated Albino Male Mice. Molecular docking