Exploring the enzyme inhibitor potential and therapeutic applications of transition metal complexes of Methoxy-Schiff...

Transition metal(II) complexes of (E)-7-methoxy-N-(4-methoxybenzylidene)benzo[d]- thiazole-2-amine Schiff base ligand have been created using benzothiazole derivative. These compounds were characterized by means of conventional spectroscopic and analytical techniques. Furthermore, computational investigations with SWISS ADMET, Density Functional Theory, and molecular docking, authorized the biological efficacy of the complexes. The 3v03 bovine serum albumin protein was also subjected to a molecular docking study. The docking scores and interacting amino acids have been analyzed which reveal that the synthesized compounds interact potently with the protein enzyme. All the metal complexes have a great propensity to attach to Calf Thymus Deoxyribo Nucleic Acid via the intercalation process. The anticancer activity of the synthesized compounds, assessed in vitro using four human cancer cell lines, reveals that Cu(II) complex exhibits the highest activity (lowest IC₅₀ values) against HeLa and MCF-7 cancer cell lines. Compared to the reference cisplatin, all of the complexes exhibit higher IC₅₀ values. Screening assays both in vitro and in vivo corroborate that the complexes exhibit greater activity than the free Schiff base.