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Synthesis, characterization, molecular docking studies of Mn(II)Prolinedithiocarbamate and its potential as anticancer agents

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Abstract

Breast cancer is a non-communicable disease but dangerous for women, and research on anti-breast cancer drug compounds is being investigated. Mn(II)Prolinedithiocarbamate (MnProDtc) complex was synthesized and characterized in cytotoxicity and in silico assay by molecular docking. Dithiocarbamate ligand plays an important role as an anticancer agent. Melting point determination, conductivity, UV–Vis spectroscopy, FT-IR spectroscopy, XRD, and HOMO–LUMO have been studied. The binding of MnProDtc to cancer cells was examined by molecular docking, showing that the active sites of the MCF-7 strain, namely the protein O(6)-methylguanine-DNA methyltransferase (MGMT), caspase-8, and the estrogen receptor, bind to the complex. The results of the cytotoxic test of MCF-7 cancer cells undergoing apoptosis at a concentration of 37.50 μg/ml with an IC50 value of 453.96 μg/ml showed moderate anticancer activity in MCF-7 cancer cells.

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Acknowledgements

Many thank you for the Central Laboratory of Inorganic Research, Hasanuddin University, Makassar, Indonesia, and the Central Laboratory of Pajajaran University.

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Authors and Affiliations

  1. Department of Chemistry, Faculty of Mathematics, and Natural Science, Hasanuddin University Makassar, Makassar, Indonesia, 90245

    Sulistiani Jarre

  2. Department of Chemistry, Faculty of Mathematics, and Natural Science, Hasanuddin University Makassar, Makassar, Indonesia, 90245

    Indah Raya

  3. Department of Surgery, Faculty of Medical, Hasanuddin University, Makassar, Indonesia, 90245

    Prihantono

  4. Medical Laboratory Technology, Faculty of Health Technology, Megarezky University, Makassar, Indonesia, 90234

    Santi Santi

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Contributions

Conceptualization, Methodology, Investigation, Writing—original draft preparation: [SJ]; Conceptualization, Methodology, Supervision: [IR]; Data Curation.: [PP]; Visualization, Data Curation, Conceptualization: [SS].

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Correspondence to Indah Raya.

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Jarre, S., Raya, I., Prihantono et al. Synthesis, characterization, molecular docking studies of Mn(II)Prolinedithiocarbamate and its potential as anticancer agents. Mol Divers 28, 889–900 (2024). https://doi.org/10.1007/s11030-023-10627-5

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