School of Chemistry and Chemical Engineering, Henan Normal University, Xinxiang 453007, China.
Int J Biol Macromol. 2013 Sep;60:288-94. doi: 10.1016/j.ijbiomac.2013.06.002. Epub 2013 Jun 11.
In this study, a thiosemicarbazone derivative (E)-2-((1,4-dihydroxy-9,10-anthraquinone-2-yl)methylene)-N-(4-fluorophenyl)hydrazinecarbothioamide (DAFPT) was synthesized, and the interaction of DAFPT with calf thymus DNA (ctDNA) was explored using ethidium bromide (EB) as a fluorescence probe. The binding mode between DAFPT and ctDNA was investigated by UV absorption spectroscopy, fluorescence spectroscopy and molecular docking. The fluorescence quenching mechanism of EB-ctDNA by DAFPT might be a combined quenching type. Thermodynamic parameters showed that the reaction was spontaneous. According to ionic strength, fluorescence polarization and melting temperature (T(m)) curve results, DAFPT-ctDNA interaction was groove binding. The molecular modeling results indicated that DAFPT could slide into the A-T rich region of ctDNA.
在这项研究中，合成了一种缩氨基硫脲衍生物（E）-2-((1,4-二羟基-9,10-蒽醌-2-基)亚甲基)-N-(4-氟苯基)腙甲硫酰胺（DAFPT），并使用溴化乙锭（EB）作为荧光探针探索了 DAFPT 与小牛胸腺 DNA（ctDNA）的相互作用。通过紫外吸收光谱、荧光光谱和分子对接研究了 DAFPT 与 ctDNA 的结合模式。DAFPT 对 EB-ctDNA 的荧光猝灭机制可能是一种综合猝灭类型。热力学参数表明反应是自发的。根据离子强度、荧光偏振和熔点（T(m)）曲线结果，DAFPT-ctDNA 相互作用是沟槽结合。分子建模结果表明，DAFPT 可以滑入 ctDNA 的 A-T 丰富区域。
