Nayab Pattan Sirajuddin, Ansari Istikhar A, Shahid Mohammad
Department of Chemistry, Jamia Millia Islamia, New Delhi, India.
Department of Chemistry, Aligarh Muslim University, Aligarh, India.
Luminescence. 2017 Aug;32(5):829-838. doi: 10.1002/bio.3259. Epub 2016 Dec 28.
Herein, we investigated new phthalimide-based Schiff base molecules as promising DNA-binding and free radical scavenging agents. Physicochemical properties of these molecules were demonstrated on the basis of elemental analysis, ultraviolet-visible (UV-Vis), infra-red (IR), H and C nuclear magnetic resonance (NMR) spectroscopy. All spectral data are agreed well with the proposed Schiff base framework. The DNA-binding potential of synthesized compounds were investigated by means of UV-visible, fluorescence, iodide quenching, circular dichroism, viscosity and thermal denaturation studies. The intrinsic binding constants (K ) were calculated from absorption studies were found to be 1.1 × 10 and 1.0 × 10 M for compounds 2a and 2b suggesting that compound 2a binding abilities with DNA were stronger than the compound 2b. Our studies showed that the presented compounds interact with DNA through groove binding. Molecular docking studies were carried out to predict the binding between Ct-DNA and test compounds. Interestingly, in silico predictions were corroborated with in vitro DNA-binding conclusions. Furthermore, the title compounds displayed remarkable antioxidant activity compared with reference standard.
在此，我们研究了新型邻苯二甲酰亚胺基席夫碱分子作为有前景的DNA结合和自由基清除剂。基于元素分析、紫外可见（UV-Vis）、红外（IR）、氢和碳核磁共振（NMR）光谱对这些分子的物理化学性质进行了表征。所有光谱数据与所提出的席夫碱框架吻合良好。通过紫外可见、荧光、碘化物猝灭、圆二色性、粘度和热变性研究对合成化合物的DNA结合潜力进行了研究。从吸收研究计算得到的固有结合常数（K），化合物2a和2b分别为1.1×10和1.0×10 M，表明化合物2a与DNA的结合能力强于化合物2b。我们的研究表明，所呈现的化合物通过沟槽结合与DNA相互作用。进行了分子对接研究以预测Ct-DNA与测试化合物之间的结合。有趣的是，计算机模拟预测与体外DNA结合结论得到了证实。此外，与参考标准相比，标题化合物表现出显著的抗氧化活性。
