a Department of Chemistry , Karunya Institute of Technology and Sciences , Coimbatore , India.
b Nanotoxicology Research Lab-Department of Nanosciences , Karunya Institute of Technology and Sciences , Coimbatore , India.
J Biomol Struct Dyn. 2019 Aug;37(13):3305-3313. doi: 10.1080/07391102.2018.1512420. Epub 2018 Nov 25.
G-quadruplex-binders have the plausible potential to act as anticancer agents. Herein, the mode of binding of a synthesized fluorenyl derivative of β-cyclodextrin with a duplex and G-quadrulex DNAs has been investigated. Moreover, the loading of the well-known G-quadruplex binder, berberine, in the β-cyclodextrin derivative using 2-dimensional rotating-frame Overhauser effect spectroscopy is studied. The intensity of proton NMR signals is weakened on the β-cyclodextrin derivative's interaction with the quadruplexes. Binding constants are reported for each binding of the ligands to calf thymus DNA, , , and employing fluorescence spectroscopy. A general trend of fluorescence response (quenching) on the β-cyclodextrin derivative to the DNAs is modified when the berberine molecule is loaded in the host structure. Despite berberine binds to the macromolecular target strongly, its host-guest association with the cavity of β-cyclodextrin diminishes the binding strength. A significant difference between the binding strengths of the ligands with duplex and quadruplex structures is observed. Communicated by Ramaswamy H. Sarma.
G-四链体结合物具有作为抗癌剂的潜在可能性。在此，研究了合成的β-环糊精芴基衍生物与双链和 G-四链体 DNA 的结合模式。此外，还研究了使用二维旋转框架 Overhauser 效应光谱将著名的 G-四链体结合物小檗碱载入β-环糊精衍生物中。当β-环糊精衍生物与四链体相互作用时，质子 NMR 信号的强度减弱。使用荧光光谱报告了每个配体与小牛胸腺 DNA 的结合常数 、 、 和 。当将小檗碱分子载入主体结构中时，β-环糊精衍生物对 DNA 的荧光响应（猝灭）的一般趋势发生变化。尽管小檗碱与大分子靶标结合紧密，但它与β-环糊精空腔的主体-客体缔合会降低结合强度。观察到配体与双链和四链体结构的结合强度之间存在显著差异。由 Ramaswamy H. Sarma 传达。
