Abstract This study was designed to examine the interaction of a platinum(IV) complex containing the drug pregabalin with calf-thymus DNA (ct-DNA) under physiological conditions. The interaction between Pt(IV) complex and ct-DNA was investigated using ultraviolet-visible (UV-vis) spectroscopy, fluorescence spectroscopy, circular dichroism (CD), viscosity, molecular docking simulation and cell culture studies. Absorption spectra of Pt(IV) complex showed hypochromism. The calculated binding constant (Kb) obtained from UV-vis absorption study was 3.6 × 104 M−1. Furthermore, CD study demonstrated stability of the right-handed B-form of DNA in the presence of the Pt(IV) complex. In fluorimeteric studies, the binding mode of Pt(IV) complex with DNA was studied using MB as a fluorescence probe. The results showed that the complex is able to completely displace the MB intercalative binder into DNA, indicating intercalative binding. In addition, significant change on the viscosity of ct-DNA showed that the Pt(IV) complex binds to DNA by intercalative binding. Molecular docking revealed that the Pt(IV) complex not only binds to DNA by intercalative mode, but also van der Waals interactions or hydrogen bonds are the main forces in the binding process. Furthermore, the anticancer activity of Pt(IV) complex was observed with almost 100% decrease in cancer cell counts of MCF-7 breast cancer cell lines. Graphical Abstract

中文翻译：

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包含药物普瑞巴林的新型铂 (IV) 络合物与小牛胸腺 DNA 相互作用的分光光度法和物理化学研究

摘要 本研究旨在检测含有普瑞巴林药物的铂 (IV) 络合物与小牛胸腺 DNA (ct-DNA) 在生理条件下的相互作用。使用紫外-可见 (UV-vis) 光谱、荧光光谱、圆二色性 (CD)、粘度、分子对接模拟和细胞培养研究来研究 Pt(IV) 复合物和 ct-DNA 之间的相互作用。Pt(IV) 配合物的吸收光谱显示低色度。从 UV-vis 吸收研究中获得的计算结合常数 (Kb) 为 3.6 × 104 M-1。此外，CD 研究证明了在 Pt(IV) 复合物存在下右手 B 型 DNA 的稳定性。在荧光研究中，使用 MB 作为荧光探针研究了 Pt(IV) 复合物与 DNA 的结合模式。结果表明，该复合物能够将 MB 嵌入结合剂完全置换到 DNA 中，表明嵌入结合。此外，ct-DNA 粘度的显着变化表明 Pt(IV) 复合物通过嵌入结合与 DNA 结合。分子对接表明，Pt(IV) 复合物不仅通过嵌入模式与 DNA 结合，而且范德华相互作用或氢键是结合过程中的主要作用力。此外，观察到 Pt(IV) 复合物的抗癌活性，MCF-7 乳腺癌细胞系的癌细胞数量几乎减少了 100%。图形概要 分子对接表明，Pt(IV) 复合物不仅通过嵌入模式与 DNA 结合，而且范德华相互作用或氢键是结合过程中的主要作用力。此外，观察到 Pt(IV) 复合物的抗癌活性，MCF-7 乳腺癌细胞系的癌细胞数量几乎减少了 100%。图形概要 分子对接表明，Pt(IV) 复合物不仅通过嵌入模式与 DNA 结合，而且范德华相互作用或氢键是结合过程中的主要作用力。此外，观察到 Pt(IV) 复合物的抗癌活性，MCF-7 乳腺癌细胞系的癌细胞数量几乎减少了 100%。图形概要