Synthesis, Characterization, Anti‐Liver Cancer and Molecular Docking of Zinc(II)‐dithiocarbamate Complex

ABSTRACT In this study, a zinc complex with theophylline dithiocarbamate ligand with 1,2‐bis(diphenylphosphine)ethane. The structure for the complex was [Zn(Th‐dtc)(dppe)]Cl. The resulting complex was characterized using CHN, 1 H‐NMR, 31 P‐NMR, and FTIR, confirming the proposed compound's correctness. The prepared compound was used in treating liver cancer, which is HePG‐2, and the IC50 value was equal to 29.79 µg/mL, proving that the compound is effective in treating this type of cancer using high concentrations. This effect was supported by the theoretical study by molecular docking, which proved that it has a binding value of −5.496 Kcal mol −1 .