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

Sulistiani Jarre1, Indah Raya2, Prihantono3

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

Molecular Diversity
|March 13, 2023
PubMed

Insights

Researchers explored Mn(II)Prolinedithiocarbamate (MnProDtc) as a potential breast cancer treatment. Molecular docking and cytotoxicity tests showed MnProDtc exhibits moderate anticancer activity against MCF-7 cells by targeting key proteins.

Area of Science:

  • Medicinal Chemistry
  • Biochemistry
  • Materials Science

Background:

  • Breast cancer remains a significant global health challenge for women.
  • Research into novel anti-breast cancer drug compounds is crucial for effective treatment.
  • Dithiocarbamate ligands are recognized for their potential anticancer properties.

Purpose of the Study:

  • To synthesize and characterize Mn(II)Prolinedithiocarbamate (MnProDtc) complex.
  • To evaluate the in silico and in vitro anticancer activity of MnProDtc against breast cancer cells.
  • To investigate the molecular interactions of MnProDtc with key cancer-related proteins.

Main Methods:

  • Synthesis and characterization of MnProDtc using techniques like melting point, conductivity, UV-Vis, FT-IR, and XRD.
  • In silico molecular docking studies to predict binding interactions with target proteins.
  • Cytotoxicity assays on MCF-7 breast cancer cells to determine IC50 values and assess apoptosis induction.

Main Results:

  • MnProDtc was successfully synthesized and characterized.
  • Molecular docking revealed binding of MnProDtc to critical sites in MCF-7 cells, including MGMT, caspase-8, and estrogen receptor.
  • Cytotoxicity tests demonstrated moderate anticancer activity against MCF-7 cells, with apoptosis observed at 37.50 μg/ml and an IC50 of 453.96 μg/ml.

Conclusions:

  • Mn(II)Prolinedithiocarbamate (MnProDtc) shows promise as a potential therapeutic agent for breast cancer.
  • The observed anticancer effects are likely mediated through interactions with key cellular targets involved in cancer progression and survival.
  • Further research is warranted to optimize MnProDtc for clinical application in breast cancer treatment.