Results

Structural optimization protocol for Pt(II) and Pt(IV) derivatives

Molecular docking protocol for Pt(II) and Pt(IV) derivatives

Protein structural preparation protocol for MD and QM/MM calculation

QM/MM barrier parameterization protocol

Molecular dynamics computational protocol

Oxoplatin synthesis procedure

Crisin C3 synthesis procedure

Cromenone synthesis procedure

Benoxaprofen synthesis procedure

Formononetina-DSC synthesis procedure

Pt(IV) ligands and complex derivatives synthesis procedures

HPLC separation protocol for Pt(IV) ligands and complex derivative

Lipophilicity determination protocol and calculated logP lipophilicity values ​​for the synthesized ligands

Reactivity tests of synthesized ligands

Cytotoxicity evaluation of 8 ligands

The results have been published so far in 26 scientific articles in prestigious international journals (e.g., Nature Communications, Dalton Transactions, Chemistry - A European Journal) and were also the subject of a public exhibition within the UBB Cultural program ("Research Visualization: A Scientist's View").

Biological evaluations revealed that these compounds exhibit significant antiproliferative activity on the triple negative breast cancer cell lines BT-549 and MDA-MB-231. At the same time, the results obtained indicate a reduced toxicity profile on normal cells, suggesting a selective action, directed towards the malignant cells investigated.

The obtained platinum(IV) complexes show promising potential for reducing the adverse effects associated with conventional chemotherapy, while also offering prospects for improving therapeutic strategies dedicated to aggressive forms of breast cancer.