Mi Ran, Tu Bao, Bai Xiao-Ting, Chen Jun, Ouyang Yu, Hu Yan-Jun
Hubei Collaborative Innovation Center for Rare Metal Chemistry, Hubei Key Laboratory of Pollutant Analysis & Reuse Technology, Department of Chemistry, Hubei Normal University, Huangshi, 435002, People's Republic of China.
Luminescence. 2015 Dec;30(8):1344-51. doi: 10.1002/bio.2904. Epub 2015 Mar 31.
Palmatine, an isoquinoline alkaloid, is an important medicinal herbal extract with diverse pharmacological and biological properties. In this work, spectroscopic and molecular modeling approaches were employed to reveal the interaction between palmatine and DNA isolated from herring sperm. The absorption spectra and iodide quenching results indicated that groove binding was the main binding mode of palmatine to DNA. Fluorescence studies indicated that the binding constant (K) of palmatine and DNA was ~ 10(4)L·mol(-1). The associated thermodynamic parameters, ΔG, ΔH, and ΔS, indicated that hydrogen bonds and van der Waals forces played major roles in the interaction. The effects of chemical denaturant, thermal denaturation and pH on the interaction were investigated and provided further support for the groove binding mode. In addition to experimental approaches, molecular modeling was conducted to verify binding pattern of palmatine-DNA.
巴马汀是一种异喹啉生物碱，是一种重要的药草提取物，具有多种药理和生物学特性。在这项工作中，采用光谱学和分子建模方法来揭示巴马汀与从鲱鱼精子中分离出的DNA之间的相互作用。吸收光谱和碘化物猝灭结果表明，沟槽结合是巴马汀与DNA的主要结合模式。荧光研究表明，巴马汀与DNA的结合常数（K）约为10⁴L·mol⁻¹。相关的热力学参数ΔG、ΔH和ΔS表明，氢键和范德华力在相互作用中起主要作用。研究了化学变性剂、热变性和pH对相互作用的影响，并为沟槽结合模式提供了进一步的支持。除了实验方法外，还进行了分子建模以验证巴马汀-DNA的结合模式。
