本研究通过单晶X射线衍射分析合成并表征了一种锰（III）配合物[MnIII（L）（SCN）（enH）]（NO3）·H2O（1•H2O）（H2L = 2-（（E）-（2-（（E）-2-羟基-3-甲氧基苄亚胺）-乙基亚胺）甲基）-6-甲氧基苯酚）。通过监测复合物在λ = 324 nm处吸光度的降低与DNA浓度的增加来研究1•H2O与DNA的相互作用，从而确定了1•H2O-ct-DNA复合物的结合常数为5.63 × 103 M-1。类似地，通过逐渐加入ct-DNA并监测在λex = 324 nm激发下 453 nm 处发射强度的增加进行荧光滴定。Benesi-Hildebrand方程的线性形式得出在25°C下的结合常数为4.40 × 103 M-1，验证了从吸光和荧光滴定中得出的结果的自洽性。分析了1•H2O对染料-ct-DNA共价结合物中的染料如溴化乙锭、Hoechst和DAPI（4'，6-双胍-2'-苯基吲哚二盐酸盐）的竞争性置换反应，对应的KSV值分别为1.05 × 104，1.25 × 104和1.35 × 104 M-1，Kapp 值分别为2.16 × 103，8.34 × 103和9.0 × 103 M-1。从这些结果很难推测出这些DNA追踪物通过大沟结合还是挤入作用的偏好。然而，分子对接实验和粘度测量明确表明其对小沟结合的偏好，涉及到Gibbs自由能的变化为-8.56 kcal/mol。然后评估了1•H2O复合物在乳腺癌MCF-7细胞中的抗癌潜力，结果表明它在2D和3D乳腺球中都严重抑制了细胞的生长，表明通过与ct-DNA的小沟结合相互作用使其具有作为抗癌药物的有希望应用。

A manganese(III) complex, [MnIII(L)(SCN)(enH)](NO3)·H2O (1•H2O) (H2L = 2-((E)-(2-((E)-2-hydroxy-3-methoxybenzylidene-amino)-ethyl-imino)methyl)-6-methoxyphenol), has been synthesized and characterized by single-crystal X-ray diffraction analysis. The interaction of 1•H2O with DNA was studied by monitoring the decrease in absorbance of the complex at λ = 324 nm with the increase in DNA concentration, providing an opportunity to determine the binding constant of the 1•H2O-ct-DNA complex as 5.63 × 103 M-1. Similarly, fluorescence titration was carried out by adding ct-DNA gradually and monitoring the increase in emission intensity at 453 nm on excitation at λex = 324 nm. A linear form of the Benesi-Hildebrand equation yields a binding constant of 4.40 × 103 M-1 at 25 °C, establishing the self-consistency of our results obtained from absorption and fluorescence titrations. The competitive displacement reactions of dyes like ethidium bromide, Hoechst, and DAPI (4',6-diamidine-2'-phenylindole dihydrochloride) from dye-ct-DNA conjugates by 1•H2O were analyzed, and the corresponding KSV values are 1.05 × 104, 1.25 × 104, and 1.35 × 104 M-1 and the Kapp values are 2.16 × 103, 8.34 × 103, and 9.0 × 103 M-1, from which it is difficult to infer the preference of groove binding over intercalation by these DNA trackers. However, the molecular docking experiments and viscosity measurement clearly indicate the preference for minor groove binding over intercalation, involving a change in Gibbs free energy of -8.56 kcal/mol. The 1•H2O complex was then evaluated for its anticancer potential in breast cancer MCF-7 cells, which severely abrogates the growth of the cells in both 2D and 3D mammospheres, indicating its promising application as an anticancer drug through a minor groove binding interaction with ct-DNA.