The State Key Lab of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, People's Republic of China.
Food Chem Toxicol. 2013 Aug;58:264-72. doi: 10.1016/j.fct.2013.04.048. Epub 2013 May 3.
Gentian violet (GV) is a well-known triarylmethane dye that is used in aquacultural, industrial and medicinal fields. But concerns in growing number have been paid to its potential health problems to human beings and its hazardous effects to environment. Herein, the toxic interaction of GV with bovine hemoglobin (BHb) was investigated by a series of spectroscopic methods and molecular modeling method. The fluorescence emission profile exhibited a remarkable quenching upon addition of GV to the buffered aqueous solution of BHb and the analysis of results revealed the dominant role of static quenching mechanism in GV-BHb interaction. The negative ΔH and positive ΔS values demonstrated that the electrostatic interactions mainly stabilized this toxicantprotein complex. Synchronous fluorescence, UV-Vis absorption and CD spectroscopic studies proved that the conformational change of BHb was induced by GV's combination. Molecular modeling studies exhibited the binding mode of GV-BHb complex and the detailed information of related driving forces. During the (1)H nuclear magnetic resonance spectra ((1)H NMR) study, the chemical shift perturbation and spin-lattice relaxation times of different protons were further used to investigate the interaction of GV with BHb and the results indicated that GV bound orientationally to BHb.
龙胆紫（GV）是一种众所周知的三芳基甲烷染料，用于水产养殖、工业和医药领域。但越来越多的人开始关注它对人类的潜在健康问题及其对环境的有害影响。在此，通过一系列光谱方法和分子建模方法研究了 GV 与牛血红蛋白（BHb）的毒性相互作用。将 GV 添加到 BHb 的缓冲水溶液中后，荧光发射图谱显示出显著的猝灭，结果分析表明，GV-BHb 相互作用中主要是静态猝灭机制起作用。负的ΔH 和正的ΔS 值表明，静电相互作用主要稳定了这种有毒蛋白质复合物。同步荧光、紫外-可见吸收和 CD 光谱研究证明了 GV 的结合诱导了 BHb 的构象变化。分子建模研究展示了 GV-BHb 复合物的结合模式和相关驱动力的详细信息。在（1）H 核磁共振波谱（（1）H NMR）研究中，进一步使用不同质子的化学位移扰动和自旋晶格弛豫时间来研究 GV 与 BHb 的相互作用，结果表明 GV 以定向方式与 BHb 结合。
