The ligands 2,2′-bipyridyl and indole-3-carboxylic acid were used to create a Sn(IV) complex, which was then synthesized and carefully characterized using elemental analysis and spectroscopic techniques (UV–vis, IR, ¹H, ¹³C, and ¹¹⁹Sn NMR, and ESI-MS) and RXPD. Utilizing biophysical techniques such as UV–vis, fluorescence titrations, circular dichroism, FTIR (for HSA), and cleavage activity (for DNA), in vitro binding studies of Sn(IV) complex and DNA/HSA were satisfied with the strong electrostatic binding interaction of the Sn(IV) complex via the phosphate backbone of the DNA helix as well as in the subdomain IIA of HSA. The observed trend in the binding interactions and computational studies of the Sn(IV) complex was attributed to the nature of the ligands bound to the Sn(IV) center that influences their in vitro activities. The Sn(IV) complex showed sufficient effectiveness to be considered a viable candidate for the creation of anticancer medications.

中文翻译：

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用新的 Sn（IV） 复合物和计算视角探索 DNA/HSA 的生物分子相互作用：设计、合成、表征、抗癌活性和分子建模方法


配体 2,2′-联吡啶基和吲哚-3-羧酸用于制备 Sn（IV） 复合物，然后使用元素分析和光谱技术（紫外-可见光、红外、¹H、¹³C 和 ¹¹⁹Sn NMR 以及 ESI-MS）和 RXPD 合成并仔细表征。利用生物物理技术，如 UV-Vis、荧光滴定、圆二色谱、FTIR（用于 HSA）和切割活性（用于 DNA），Sn（IV） 复合物和 DNA/HSA 的体外结合研究满足了 Sn（IV） 复合物通过 DNA 螺旋的磷酸骨架以及 HSA 的子结构域 IIA 的强静电结合相互作用。在 Sn（IV） 复合物的结合相互作用和计算研究中观察到的趋势归因于与 Sn（IV） 中心结合的配体的性质，这会影响其体外活性。Sn（IV） 复合物显示出足够的有效性，被认为是创造抗癌药物的可行候选者。