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The cytotoxic effect analyzed by MTT assay showed that both compounds have effective antiproliferative on MCF-7 cell line. In addition, the inhibition effect of [Pt(DACH)(13DMPG)]NO3 (IC50 = 17 µM) was shown to be better than [Pt(bpy)(13DMPG)]NO3 (IC50 = 45 µM). According to DFT results, anticancer properties of [Pt(bpy)(13DMPG)]NO3 mainly is more than cisplatin and [Pt(DACH)(13DMPG)]NO3. Docking studies showed that the desolvation energy and hydrogen bond are more effective compared to the other interactions. The torsional free energy, a