Biometals ( IF 4.1 ) Pub Date : 2020-10-08 , DOI: 10.1007/s10534-020-00255-z Tahere Kondori 1 , Niloufar Akbarzadeh-T 2 , Habib Ghaznavi 3, 4 , Zeinab Karimi 1 , Jafar Shahraki 5 , Roghayeh Sheervalilou 3, 6 , Omolbanin Shahraki 3, 6
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Abstract
The binuclear iron(III) complex (1), namely, {[Fe(5,5′-dmbpy)2(OH2)]2(µ-O)}(NO3)4 with a distorted octahedral coordination, formed by four nitrogen and two oxygen atoms, was previously reported by our team. In this study the DNA-binding and cytotoxicity evaluation for target complex were studied. The results indicated strong cytotoxicity activity against A549 cells comparable to cisplatin values. The binding interaction between complex 1 and FS-DNA was investigated by UV–Vis, fluorescence spectroscopy, and gel electrophoresis at physiological pH (7.2). The DNA binding investigation has shown groove binding interactions with complex 1, therefore the hydrogen binding plays an important role in the interaction of DNA with complex 1. The calculated thermodynamic parameters (ΔH°, ΔS° and ΔG°) show that hydrogen bonding and Vander–Waals forces have an important function in Fe(III) complex–DNA interaction. Moreover, DNA cleavage was studied using agarose gel electrophoresis. Viscosity measurements illustrated that relative viscosity of DNA was unchanged with the adding concentrations of Fe(III) complex. Molecular docking simulation results confirmed the spectroscopic and viscosity titration outcomes.
Graphic abstract
中文翻译：
5,5'-二甲基-2,2'-联吡啶的双核铁 (III) 络合物作为细胞毒剂
摘要
双核铁(III)配合物( 1 )，即{[Fe(5,5′-dmbpy) 2 (OH 2) ] 2 (µ-O)}(NO 3 ) 4具有八面体配位畸变，由下式形成四个氮原子和两个氧原子，我们团队之前曾报道过。在这项研究中，研究了靶复合物的 DNA 结合和细胞毒性评估。结果表明对 A549 细胞的强细胞毒性活性与顺铂值相当。复合物1和 FS-DNA之间的结合相互作用通过 UV-Vis、荧光光谱和生理 pH 值 (7.2) 下的凝胶电泳进行了研究。DNA 结合研究显示凹槽结合与复合物1的相互作用，因此氢键在 DNA 与复合物1的相互作用中起重要作用。计算的热力学参数（ΔH°、ΔS°和ΔG°）表明氢键和范德华力在Fe(III)配合物-DNA相互作用中具有重要作用。此外，使用琼脂糖凝胶电泳研究了 DNA 切割。粘度测量表明，随着 Fe(III) 配合物浓度的增加，DNA 的相对粘度没有变化。分子对接模拟结果证实了光谱和粘度滴定结果。
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