CAJ | 학술논문

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。
재중성조건하，이용자외가견분광광보법화분자대접기술연구료우담류소분자염료천소황R여우혈청백단백적상호작용。자외가견광보표명，천소황R여우혈청백단백건합형성적복합물최대흡수파장위386nm，비천소황R홍이료13nm，이자적결합마이비약위1：1，표관마이흡광계수위8.70×103dm3·mol-1·cm-1。결합분자모의기술연구복합물적결합모식화건합궤제，판정천소황R재우혈청백단백상적결합위치위우site I결합위점，토론이자지간적작용력이정전작용위주，동시야포괄소수작용화경건。분자대접모의결과여실험결론일치。
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.