A trinuclear copper complex [Cu₃(napxshz)₂(phen)₂] has been synthesised using a tribasic naproxen-appended ligand [H₃napxshz = 2-hydroxy-N′-(2-[6-methoxynaphthalen-2-yl] propanoyl) benzohydrazide] and 1,10-phenanthroline. The complex was characterised by different spectroscopic methods such as Fouriertransform infrared (FT-IR), ultraviolet-visible (UV–Vis) and electrospray ionisation (ESI)-mass spectroscopy. The solid-state structure of the ligand and complex 1 was established by single-crystal X-ray diffraction analysis. The interaction of the complex and the ligand with DNA was investigated by UV–visible spectroscopy and fluorometric titrations. The calculated binding constants (K_b) of the complex and the ligand with ct-DNA show that the complex has a higher binding affinity than the ligand H₃napxshz. Quantum chemical calculations were performed to understand the structural aspects of the complex and its interactions with DNA. The molecular docking study reveals the interaction between DNA, and the complex is in intercalative mode.

中文翻译：

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萘普生附加水杨酰肼的三核铜 (II) 复合物：合成、晶体结构、DNA 结合和分子对接研究

_{使用三元萘普生附加配体 [H 3} napxshz = 2-羟基-N'-(2-[6-methoxynaphthalen-2-yl] )合成了三核铜络合物 [Cu ₃ (napxshz) ₂ (phen) ₂ ]丙酰基）苯甲酰肼]和1,10-菲咯啉。该复合物通过不同的光谱方法进行表征，例如傅里叶变换红外 (FT-IR)、紫外-可见 (UV-Vis) 和电喷雾电离 (ESI) 质谱。通过单晶X射线衍射分析建立了配体和配合物1的固态结构。通过紫外-可见光谱和荧光滴定法研究了复合物和配体与 DNA 的相互作用。计算的结合常数 ( K_b )复合物与配体与ct-DNA的结合表明该复合物比配体H ₃ napxshz具有更高的结合亲和力。进行量子化学计算以了解复合物的结构方面及其与 DNA 的相互作用。分子对接研究揭示了DNA之间的相互作用，复合物处于嵌入模式。