State Key Laboratory of Food Science and Technology, Nanchang University, No. 235, Nanjing East Road, Nanchang 330047, Jiangxi, China.
Spectrochim Acta A Mol Biomol Spectrosc. 2013 Aug;112:7-14. doi: 10.1016/j.saa.2013.04.022. Epub 2013 Apr 11.
The interaction between bifenthrin (BF) and calf thymus DNA (ctDNA) in physiological buffer (pH 7.4) was investigated by UV-vis absorption, fluorescence, circular dichroism (CD), and Fourier transform infrared (FT-IR) spectroscopy, coupled with viscosity measurements and molecular docking techniques. It was found that BF molecular could intercalate into the base pairs of ctDNA as evidenced by significant increases in absorption intensity, fluorescence polarization and relative viscosity of ctDNA, decrease in iodide quenching effect, and induced CD spectral changes. The association constant of BF with ctDNA was evaluated to be in the order of 10(4) L mol(-1). Thermodynamic analysis of the binding data obtained at different temperatures suggested that the binding process was primarily driven by hydrogen bonds and van der Waals forces, as the values of the enthalpy change (ΔH) and the entropy change (ΔS) were calculated to be -31.13±1.89 kJ mol(-1) and -22.79±1.21 J mol(-1) K(-1), respectively. The results of FT-IR spectra and molecular docking showed that a specific binding mainly existed between BF and adenine and guanine bases.
双丙环虫酯（BF）与小牛胸腺 DNA（ctDNA）在生理缓冲液（pH 7.4）中的相互作用通过紫外可见吸收光谱、荧光光谱、圆二色性（CD）和傅里叶变换红外（FT-IR）光谱、黏度测量和分子对接技术进行了研究。结果表明，BF 分子可以嵌入 ctDNA 的碱基对中，这可以通过吸收强度、荧光偏振和 ctDNA 的相对黏度的显著增加、碘猝灭效应的降低以及诱导 CD 光谱变化来证明。评估 BF 与 ctDNA 的结合常数为 10(4) L mol(-1)。在不同温度下获得的结合数据的热力学分析表明，结合过程主要由氢键和范德华力驱动，因为焓变（ΔH）和熵变（ΔS）的值分别计算为-31.13±1.89 kJ mol(-1)和-22.79±1.21 J mol(-1) K(-1)。FT-IR 光谱和分子对接的结果表明，BF 与腺嘌呤和鸟嘌呤碱基之间主要存在特定的结合。
