The bidentate N-(1-Alkylpyridin-4(1H)-ylidene)amide (PYA) pro-ligands [H₂L_Bn][Cl]₂ (2), and [H₂L_Me][TfO]₂ (3) were prepared by simple alkylation reactions of the known compound, N,N-di(pyridin-4-yl)oxalamide (H₂L, 1). The Pd(II) complexes, [Pd(L_Bn)₂][Cl]₂ (4), [Pd(L_Me)₂][Cl][TfO] (5), Pd(L_Bn)Cl₂ (6) and Pd(L_Me)Cl₂ (7) were synthesized through reactions between these pro-ligands and suitable Pd(II) substrates in the presence of base. The molecular structures of 3 and 6 were obtained by single crystal X-ray structure determinations. Studies of the experimental and computational DNA binding interactions of the compounds 1–7 revealed that overall 4 and 6 have the largest values for the binding parameters K_b and ΔG_b^o. The results showed a good correlation with the steric and electronic parameters obtained by quantitative structure activity relationship (QSAR) studies. In-vitro cytotoxicity studies against four different cell lines showed that the human breast cancer cell lines MCF-7, T47D and cervical cancer cell line HeLa had either higher or similar sensitivities towards 4, 6 and 2, respectively, compared to cisplatin. In general, the cytotoxicity of the compounds, represented by IC₅₀ values, decreased in the order 4 > 6 > 2 > 5 > 3 > 1 > 7 in cancer cell lines. Apoptosis contributed significantly to the cytotoxic effects of these anticancer agents as evaluated by apoptosis studies.

双齿N -(1-Alkylpyridin-4 (1H) -ylidene)amide (PYA) 前配体 [H ₂ L _Bn ][Cl] ₂ ( 2 ) 和 [H ₂ L _Me ][TfO] ₂ ( 3 ) 是通过已知化合物N,N-二(吡啶-4-基)草酰胺 (H ₂ L, 1 ) 的简单烷基化反应制备的。Pd(II) 配合物 [Pd(L _Bn ) ₂ ][Cl] ₂ ( 4 ), [Pd(L _Me ) ₂ ][Cl][TfO] ( 5 ), Pd( L _Bn)Cl ₂ ( 6 ) 和 Pd( L _Me )Cl ₂ ( 7 ) 通过这些前配体与合适的 Pd(II) 底物在碱存在下的反应合成。3和6的分子结构是通过单晶X射线结构测定获得的。对化合物1 – 7的实验和计算 DNA 结合相互作用的研究表明，总体4和6的结合参数 K _b和 ΔG _b ^o具有最大值. 结果表明，与定量构效关系（QSAR）研究获得的空间和电子参数具有良好的相关性。针对四种不同细胞系的体外细胞毒性研究表明，与顺铂相比，人乳腺癌细胞系MCF-7 、 T47D和宫颈癌细胞系HeLa分别对4、6和2具有更高或相似的敏感性。一般来说，以IC ₅₀值表示的化合物的细胞毒性按4  >  6  >  2  >  5  > 的顺序降低。3  >  1 > 7在癌细胞系中。通过细胞凋亡研究评估，细胞凋亡对这些抗癌剂的细胞毒性作用有显着贡献。