Cellular and Molecular Research Center, Gerash University of Medical Sciences, Gerash, Iran.
Department of Chemistry, University of Sistan and Baluchestan, Zahedan, Iran.
Biometals. 2020 Dec;33(6):365-378. doi: 10.1007/s10534-020-00255-z. Epub 2020 Oct 8.
The binuclear iron(III) complex (1), namely, {Fe(5,5'-dmbpy)(OH}(NO) 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.
我们小组先前报道了一种双核铁（III）配合物（1），即{Fe(5,5'-dmbpy)(OH)}(NO)，它具有扭曲的八面体配位，由四个氮原子和两个氧原子形成。在这项研究中，我们研究了目标配合物的 DNA 结合和细胞毒性评估。结果表明，它对 A549 细胞具有很强的细胞毒性活性，与顺铂相当。在生理 pH 值（7.2）下，通过紫外-可见光谱、荧光光谱和凝胶电泳研究了配合物 1 与 FS-DNA 的结合相互作用。DNA 结合研究表明，配合物 1 与 DNA 发生沟结合相互作用，因此氢键在配合物 1 与 DNA 的相互作用中起着重要作用。计算得到的热力学参数（ΔH°、ΔS°和ΔG°）表明，氢键和范德华力在 Fe(III) 配合物-DNA 相互作用中起着重要作用。此外，还通过琼脂糖凝胶电泳研究了 DNA 的切割。粘度测量表明，随着 Fe(III) 配合物添加浓度的增加，DNA 的相对粘度保持不变。分子对接模拟结果证实了光谱和粘度滴定的结果。
