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

Jarre, Sulistiani; Raya, Indah; Prihantono, Prihantono; Arfah, Rugaiyah; Gappa, Maming; Fauziah, Siti; Santi, Santi; Irfandi, Rizal

doi:10.21608/ejchem.2022.149508.6466

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

Document Type : Original Article

Authors

¹ Department of Chemistry, Hasanuddin University

² Chemistry Department, Hasanuddin University

³ Department of Oncology, Medicine Faculty, Hasanuddin University, Perintis Kemerdekaan Street Km. 10 Tamalanrea, Makassar 90245, Indonesia

⁴ Departement of Chemistry, Faculty of Mathematics and Natural Sciences, Hasanuddin University, Makassar, 90245, Indonesia

⁵ Department of Chemistry, Faculty of Mathematics and Natural Science, University of Hasanuddin, Jalan. Perintis Kemerdekaan 90245, Makassar-Indonesia

⁶ Medical Laboratory Technology, Megarezky University

⁷ Department of Biology Education, Faculty of Teacher Training and Education, Puangrimaggalatung University, Sengkang, Indonesia

10.21608/ejchem.2022.149508.6466

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.

Keywords