淫羊藿苷与过氧化氢酶相互作用的荧光光谱法和分子对接研究

利用过氧化氢酶的内源荧光,通过荧光光谱法对淫羊藿苷与过氧化氢酶的相互作用进行了研究.结果表明,淫羊藿苷主要以静电作用力与过氧化氢酶发生相互作用,16℃时结合常数和结合位点数分别为4.59×104 L/mol和1.00.根据F（o）rster非辐射能量转移理论,计算二者相互作用的结合距离为4.05 nm.对二者之间的相互作用进行了分子模拟,表明淫羊藿苷在过氧化氢酶4个亚基的中心区域通过静电作用力、疏水作用力和氢键作用力与过氧化氢酶发生相互作用,与荧光光谱法的研究结果相一致.

Study on the Interaction Between Icariin and Catalase by Fluorescence Spectrometry and Molecular Docking

Based on the intrinsic fluorescence of catalase （CAT）,the interaction between icariin and CAT was studied by fluorescence spectroscopy.It was found that icariin made a strong noncovalent bind with CAT through electrostatic force,the binding constant and binding number between them were 4.59× 104 L/mol and 1.00 at 16 ℃.According to the theory of F（o）rster non-radiation energy transfer,the interaction distance was calculated as 4.05 nm.The molecular docking between CAT and icariin was also performed.The result showed that icariin located in the center of four subunits of CAT and interacted with CAT through electrostatic force,hydrophobic force and hydrogen bond.Such a result was coincided with that from the fluorescence method.