Abstract

In this study, five new complexes containing deferiprone (dfp) and N,N-donor ligands [bipyridine (bpy), 1,10-phenanthroline (phen) and ethylenediamine (en)] were synthesized: [Fe(dfp)₂(bpy)](PF₆) (1), [Fe(dfp)₂(phen)](PF₆) (2), [Cu₂(dfp)₂(bpy)₂](PF₆)₂ (3), [Ga(dfp)₂(bpy)](PF₆) (4), and [Fe(dfp)₂(en)](PF₆) (5). Characterization of these complexes was carried out through elemental analysis and FT-IR, and single-crystal X-ray crystallography was used to determine their structures. Whilst the polyhedron has a distorted octahedral geometry in 1, 2, 4, and 5, it adopts a distorted square-pyramidal geometry in 3. Interaction of these compounds with human serum albumin (HSA) has been investigated through electronic absorption and fluorescence titration techniques. Emission quenching was performed separately for each complex at three different temperatures and thermodynamic parameters were calculated using binding constants to better understand the power of different binding forces with the HSA. Results demonstrated that compounds interact strongly with the HSA with a static quenching mechanism. Our evaluation of the cytotoxicity of complexes against the breast cancer MCF-7 cell line showed that complex 2 presents a better cytotoxicity than the standard cis-Pt. Finally, using the AutoDock 4.2 program, simulations to analyze the mechanism of complex–HSA interactions and their binding mode were carried out. Results showed that the best binding mode is located in subdomain IB for 1, 2, and 4, in I/II for 3, and in IA/IIA for 5.

Communicated by Ramaswamy H. Sarma

摘要

在本研究中，合成了五种含有去铁酮 (dfp) 和 N,N-供体配体 [联吡啶 (bpy)、1,10-菲咯啉 (phen) 和乙二胺 (en)] 的新配合物：[Fe(dfp) ₂ (bpy) )](PF ₆ ) ( 1 ), [Fe(dfp) ₂ (phen)](PF ₆ ) ( 2 ), [Cu ₂ (dfp) ₂ (bpy) ₂ ](PF ₆ ) ₂ ( 3 ), [ Ga(dfp) ₂ (bpy)](PF ₆ ) ( 4 ) 和 [Fe(dfp) ₂ (en)](PF ₆ ) ( 5）。这些配合物的表征是通过元素分析和 FT-IR 进行的，并使用单晶 X 射线晶体学来确定它们的结构。虽然多面体在1、2、4和5 中具有扭曲的八面体几何，但它在3 中采用了扭曲的正方锥体几何。. 已经通过电子吸收和荧光滴定技术研究了这些化合物与人血清白蛋白 (HSA) 的相互作用。在三种不同温度下对每个复合物分别进行发射猝灭，并使用结合常数计算热力学参数，以更好地了解不同结合力与 HSA 的作用。结果表明化合物与具有静态猝灭机制的 HSA 强烈相互作用。我们对复合物对乳腺癌 MCF-7 细胞系的细胞毒性的评估表明，复合物2的细胞毒性比标准的顺式-Pt。最后，使用 AutoDock 4.2 程序进行模拟以分析复合物-HSA 相互作用的机制及其结合模式。结果表明，最好装订模式位于子域IB为1，2，和4，在I / II为3，并且在IA / IIA为5。

由 Ramaswamy H. Sarma 交流