茜素黄R与牛血清白蛋白光谱学及分子对接研究  

Spectroscopic and Molecular Modeling Studies on the Interaction between Alizarin Yellow R and Bovine Serum Albumin

作　　者：吴承燕 

机构地区：[1]福建师范大学福清分校生物与化学工程系,福建福清350300

出　　处：《福建师大福清分校学报》2014年第2期49-51,56,共4页Journal of Fuqing Branch of Fujian Normal University

摘　　要：在中性条件下,利用紫外可见分光光谱法和分子对接技术研究了偶氮类小分子染料茜素黄R与牛血清白蛋白的相互作用。紫外可见光谱表明,茜素黄R与牛血清白蛋白键合形成的复合物最大吸收波长为386nm,比茜素黄R红移了13nm,二者的结合摩尔比约为1:1,表观摩尔吸光系数为8.70×103dm3·mol-1·cm-1。结合分子模拟技术研究复合物的结合模式和键合机制,判定茜素黄R在牛血清白蛋白上的结合位置位于site I结合位点,讨论二者之间的作用力以静电作用为主,同时也包括疏水作用和氢键。分子对接模拟结果与实验结论一致。The interaction of alizarin yellow R（AYR） with bovine serum albumin（BSA） has been investigated by ultraviolet-visible absorption spectroscopy and molecular modeling techniques. It is found that the maximum absorption of AYR-BSA complex is 386 nm, with a red shift.of about 13nm compared to AYR. In addition, the combination proportion of AYR and BSA is approximately nAYR： nBSA=1：1, and the apparent molar absorption coefficient is calculated as 8.70×103dm3·mol-1·cm-1. It is suggested that the building site of AYR to BSA is probably located on site 1 by molecular modeling methods. The interaction of AYR with BSA is driven mainly by electrostatic interactions, and there are hydrophobic forces and hydrogen bonds, which is in good accordance with experiment results.

关 键 词：茜素黄R 牛血清白蛋白 紫外可见光谱 分子对接 

分 类 号：O657.32[理学—分析化学]