Pd(II) and Pt(II) complexes with N-(1,3-benzothiazol-2-yl)acetamide ligands, spectroscopic characterization, DFT computational and in-vitro cytotoxicity studies

Abstract Six N-acetamide complex, [Pd(bzta)2](1a), [Pd(bzmta)2](1b) and [Pd(bzcta)2](1c), [Pt(bzta)2] (2a), [Pt(bzmta)2](2b) and [Pt(bzcta)2](2c) {bztaH: N-(1,3-benzothiazol-2-yl)acetamide, bzmtaH: N-(6-methyl-1,3-benzothiazol-2-yl)acetamide, bzctaH: N-(6-chloro-1,3-benzothiazol-2-yl) acetamide} have been prepared and characterized by NMR (1H & 13C, 1H-1H COSY), infrared and UV–visible technique, elemental analysis, and molar conductivity. The spectroscopic data is in agreement with the coordination of acetamide to Pd(II) and Pt(II) through the N atom of the heterocyclic ring and the deprotonated oxygen atom of the amide group. The anticancer effect of 1a, 1b, 2a, and 2b were examined against three different cancer cell lines, Lung (A549), ovarian (A2780), and Melanoma (518A2). It's clear that the results revealed that the cytotoxic effect of 1a, 1b, 2a, and 2b was different against the cell lines. Density functional theory (DFT) was used to investigate the structure and stability of the compounds by calculating the highest unoccupied molecular orbital (HUMO), lowest unoccupied molecular orbital (LUMO), band gap energies, and frequency calculations.