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