Since numerous people annually pass away due to cancer, research in this field is essential. Thus a newly made and water like palladium(II) complex of formula [Pd(phen)(acac)]NO₃, where phen is 1,10-phenanthroline and acac is acetylacetonato ligand, has been synthesized by the reaction between [Pd(phen)(H₂O)₂](NO₃)₂ and sodium salt of acetylacetone in the molar ratio of 1:1. It has been structurally characterized via the methods such as conductivity measurement, elemental analysis and spectroscopic methods (FT-IR, UV-Vis and ¹H NMR). The geometry optimization of this complex at the DFT level of theory reveals that Pd(II) atom is situated in a square-planar geometry. The complex has been screened for its antitumor activity against K562 cancer cells which demonstrated efficacious activity. The interaction of above palladium(II) complex with CT-DNA as a target molecule for antitumor agents and BSA as a transport protein was studies by a variety of techniques. The results of UV-Vis absorption and fluorescence emission indicated that the Pd(II) complex interact with EB+CT-DNA through hydrophobic and with BSA by hydrogen bonding and van der Waals forces at very low concentrations. In these processes, the fluorescence quenching mechanism of both the macromolecules seems to be the combined dynamic and static. The interaction was further supported for CT-DNA by carrying out the gel electrophoresis and viscosity measurement and for BSA by the circular dichroism and Förster resonance energy transfer experiments. Furthermore, results of partition coefficient determination showed that the [Pd(phen)(acac)]NO₃ complex is more lipophilic than that of cisplatin. Moreover, molecular docking simulation confirms the obtained results from experimental tests and reveals that the complex tends to be located at the intercalation site of DNA and Sudlow's site I of BSA.

由于每年都有很多人死于癌症，因此这一领域的研究至关重要。因此，一个新制备和水等钯（II）络合物的式[钯（苯）（acac）]的NO ₃，其中苯是1,10-菲咯啉和乙酰丙酮，乙酰丙酮是配位体，已通过之间的反应[钯（合成phen）（H ₂ O）₂ ]（NO ₃）₂与乙酰丙酮钠盐的摩尔比为1：1。通过电导率测量，元素分析和光谱法（FT-IR，UV-Vis和¹1 H NMR）。在理论的DFT级别上对该复合物的几何结构优化表明，Pd（II）原子位于正方形平面的几何结构中。已经针对该复合物针对其显示出有效活性的K562癌细胞的抗肿瘤活性进行了筛选。通过多种技术研究了上述钯（II）配合物与CT-DNA作为抗肿瘤剂的靶分子以及BSA作为转运蛋白的相互作用。UV-Vis吸收和荧光发射的结果表明，Pd（II）络合物通过疏水键与EB + CT-DNA相互作用，并在很低的浓度下通过氢键和范德华力与BSA相互作用。在这些过程中，两个大分子的荧光猝灭机理似乎是动态和静态的结合。通过进行凝胶电泳和粘度测量，进一步支持了CT-DNA的相互作用，通过圆二色性和Förster共振能量转移实验进一步支持了BSA。此外，分配系数测定结果表明[Pd（phen）（acac）] NO₃复合物比顺铂更具亲脂性。此外，分子对接模拟证实了从实验测试中获得的结果，并揭示了该复合物倾向于位于DNA的插入位点和BSA的Sudlow位点I。