article · Journal of Biomolecular Structure and Dynamics
, respectively. It was observed that the Fe(III) complex had the best activity among the compounds against microbial strains. Cytotoxicity of new metal complexes was also assessed against A549, HepG-2 and PC-3 cancer cells. Results demonstrated that the Cu(II) complex displayed the preeminent activity among the synthesised compounds against all the tested cell lines. Furthermore, molecular docking simulation revealed that the Fe(III) complex is shown to have a high affinity with the active sites of two targets of microbial strains. Also, the Cu(II) complex shown to has a high affinity with the active sites of three targets of A-549, HepG-2 and PC-3 cancer cells, which was confirmed by the formation of the different modes of interaction.Communicated by Ramaswamy H. Sarma.
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DOI: 10.1080/07391102.2023.2191725
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