Probing the Binding of Insecticide Permethrin to Calf Thymus DNA by Spectroscopic Techniques Merging with Chemometrics Method
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- 作者：Yue Zhang ; Guowen Zhang ; Yu Li ; Yuting Hu
- 刊名：Journal of Agricultural and Food Chemistry
- 出版年：2013
- 出版时间：March 20, 2013
- 年：2013
- 卷：61
- 期：11
- 页码：2638-2647
- 全文大小：440K
- 年卷期：v.61,no.11(March 20, 2013)
- ISSN：1520-5118
文摘
The binding of permethrin (PE) with calf thymus DNA (ctDNA) in physiological buffer (pH 7.4) was investigated by ultraviolet鈥搗isible (UV鈥搗is) absorption, fluorescence, circular dichroism (CD), and Fourier transform infrared (FT鈥揑R) spectroscopy merging with multivariate curve resolution鈥揳lternating least-squares (MCR鈥揂LS) chemometrics approach. The MCR鈥揂LS was applied to resolve the combined spectroscopic data matrix, which was obtained by UV鈥搗is and fluorescence methods. The concentration profiles of PE, ctDNA, and PE鈥揷tDNA complex and their pure spectra were then successfully obtained. The PE molecular was found to be able to intercalate into the base pairs of ctDNA as evidenced by decreases in resonance light-scattering signal and iodide-quenching effect and increase in ctDNA viscosity. The results of FT鈥揑R spectra indicated that PE was prone to bind to G鈥揅 base pairs of ctDNA, and the molecular docking studies were used to validate and clarify the specific binding. The observed changes in CD signals revealed that the DNA turned into a more highly wound form of B-conformation. The calculated thermodynamic parameters, enthalpy change (螖H掳) and entropy change (螖S掳), suggested that hydrogen bonds and van der Waals forces played a predominant role in the binding of PE to ctDNA.