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Synthesis, characterization, DFT optimization and anticancer evaluation of phosphanegold(I) dithiocarbamates

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Abstract Six phosphanegold(I)-dithiocarbamate complexes (1–6) of general formula [Au(L)(S2CNR2)] (where L = 2-(di-isopropylphosphanyl)-1-aminoethane (AEP) and 3-(di-isopropylphosphanyl)-1-aminopropane (APP), and R = methyl, ethyl, benzyl) were prepared by the reactions of equimolar amounts of (CH3)2S–AuCl, phosphanes… Click to show full abstract

Abstract Six phosphanegold(I)-dithiocarbamate complexes (1–6) of general formula [Au(L)(S2CNR2)] (where L = 2-(di-isopropylphosphanyl)-1-aminoethane (AEP) and 3-(di-isopropylphosphanyl)-1-aminopropane (APP), and R = methyl, ethyl, benzyl) were prepared by the reactions of equimolar amounts of (CH3)2S–AuCl, phosphanes and dithiocarbamates (S2CNR2) in dichloromethane. The complexes were characterized by elemental analysis, FTIR and NMR spectroscopy. The structures of the complexes were predicted theoretically in the gas phase as well as in chloroform solution using the DFT (density functional theory) methodology. The in vitro cytotoxicity of the complexes was investigated against three human cancer cell lines; A549, HeLa and HepG2. In most of the cases, the inhibition effect of the complexes is less than that of cisplatin. Two of the six tested complexes (3 and 5) showed excellent in vitro cytotoxicity for HepG2 and A549 cells respectively.

Keywords: anticancer evaluation; evaluation phosphanegold; dft optimization; characterization dft; optimization anticancer; synthesis characterization

Journal Title: Journal of Molecular Structure
Year Published: 2020

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