Novel thiazole carbamothioyl benzamide derivative Mn(II), Ni(II), and Cu(II) complexes: synthesis, structural characterisation, computational, and biological potency

The thiazole carbamothioyl benzamide derivative (H2L) and its complexes with Mn(II), Cu(II), and Ni(II), are discussed in this study. The reaction between benzoyl isothiocyanate and benzo[d]thiazol-2-amine produced the thiazole carbamothioyl benzamide moiety. Analytical, spectroscopic, and magnetic studies were used to clarify the structures of these substances. DFT confirmed the octahedral construction of all complexes. Thiazole carbamothioyl benzamide metal complex thermal degradation behavior was investigated. The kinetics for all studied compounds (Ea, A, ΔG*, ΔS*, and ΔH*) have been calculated from thermal degradation phases. Effective inhibitory action of the H2L in comparison to other examined compounds was shown by ABTS-antioxidant activities and cytotoxicity towards liver (HePG2) and breast (MCF-7) carcinoma cells. Ni(II) complex has the most activity against C. albicans fungal stain and Cu(II) proved to have the best activity against E. Coli and S. aureus bacterial stains. The binding affinity between the substances under study and the HepG-2 (PDB ID: 2OH4) and MCF-7 (PDB ID: 3W2S) proteins was also determined using the Schrödinger suite program.