Synthesis, characterization, potential anticancer activity, and molecular docking studies of Fe(II)Prolinedithiocarbamate complex on MCF-7 breast cancer cell lines.

Abstract

A new complex compound of Fe(II)Prolinedithiocarbamate has been synthesized, characterized, and was tested for MCF-7 cell in vitro and in silico with molecular docking studies. Characterized tests such as melting point, conductivity, UV-Vis spectroscopy, and FT-IR spectroscopy have been performed. The in vitro test results showed morphological changes (apoptosis) in MCF-7 cancer cells start at 75 μg/ml. The molecular docking study of the complex Fe(II)Prolinedithiocarbamate was identified with O(6)-methylguanine-DNA methyltransferase (MGMT) protein. Fe(II)Prolinedithiocarbamate - O(6)-methylguanine-DNA methyltransferase (MGMT) showed the active site with amino acid residues GLU77, LEU142, ILE76, dan TRP65. The hydrogen and hydrophobic bond were seen in Fe(II)Prolinedithiocarbamate - O(6)-methylguanine-DNA methyltransferase (MGMT) has a binding energy -183.25 kJ/mol. According in vitro test and molecular docking study, this compound has a potential anticancer activity.

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