Synthesis, Anti-Breast Cancer Activity Evaluation, and Molecular Docking Study of Cobalt(II) and Ruthenium(III) Complexes Derived from Benzoylthiourea Compounds
DOI:
https://doi.org/10.56714/bjrs.51.2.3Keywords:
Benzoylthiourea, Ruthenium, Breast cancer, Molecular dockingAbstract
A series of cobalt (II) and ruthenium (III) complexes (1–9) incorporating benzoyl thiourea-based ligands was synthesized through the reaction of 4-ethylbenzoylthiourea derivatives with aqueous cobalt and ruthenium salts. In the presence of potassium carbonate (K₂CO₃) in methanol, thiourea molecules acted as bidentate chelating ligands, coordinating through sulfur (S) and oxygen (O) atoms with the metal ions. Cobalt and ruthenium complexes were successfully synthesized and characterized using various analytical techniques, including infrared spectroscopy (FT-IR), thermogravimetric analysis (TGA), magnetic susceptibility measurements, molar conductivity, and UV–Visible spectroscopy. The biological activity of the synthesized complexes was assessed against the MCF-7 breast cancer cell line to evaluate their cytotoxic effects. Among the tested complexes, complex 3 exhibited high percentage of cancer cell inhibition. Furthermore, molecular docking studies revealed that the complex 3 showed the strongest binding affinity toward the selected 5KCV and 3ERT proteins, as evidenced by its lowest binding energy scores and minimal root-mean-square deviation (RMSD) values, indicating stable and favorable interactions with the active sites of these proteins
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