Nucleosides, Nucleotides & Nucleic Acids ( IF 1.3 ) Pub Date : 2021-05-14 , DOI: 10.1080/15257770.2021.1922700 Radhika Bhat 1 , Noor Shahina Begum 1
Abstract
This study reports the synthesis of new indol(1H-3-yl) pyrimidine derivatives 4(a-e) using various substituted indole-3-carbaldehydes, urea and malononitrile in the presence of ammonium chloride. The resulting compounds were characterized using analytical and spectroscopic methods. The molecular docking study exhibits that among the synthesized compounds, 4(c-e) have great binding ability toward B-DNA. The binding efficiencies of compounds 4(c-e) with CT-DNA were evaluated via UV-visible absorption spectral and viscosity studies. The findings establish that the compounds firmly bind through an intercalative mode to CT-DNA and provide a unique pattern of DNA binding. The photo-induced cleavage indicates that the compounds have UV-visible photo nuclease properties toward plasmid DNA as revealed by agarose gel electrophoresis approach.
中文翻译:
新型吲哚(1H-3-基)嘧啶衍生物的合成、表征和分子对接研究:深入了解它们在 DNA 相互作用中的作用
摘要
本研究报告了在氯化铵存在下使用各种取代的 indole-3-carbaldehydes、尿素和丙二腈合成新的 indol(1 H -3-yl) 嘧啶衍生物4(ae)。使用分析和光谱方法表征所得化合物。分子对接研究表明,在合成的化合物中,4(ce)对B-DNA具有很强的结合能力。化合物4(ce)的结合效率CT-DNA 通过紫外-可见吸收光谱和粘度研究进行评估。研究结果表明,这些化合物通过嵌入模式与 CT-DNA 牢固结合,并提供了独特的 DNA 结合模式。光诱导裂解表明化合物对质粒 DNA 具有紫外-可见光核酸酶特性,如琼脂糖凝胶电泳方法所揭示的。