发光学报, 2014, 35 (9): 1114, 网络出版: 2014-09-15  

不同方程计算药物小分子与蛋白结合常数的比较研究

Comparative Study of Binding Constants Between Small Molecule Drugs and Protein Calculated by Different Equation
作者单位
河北大学 化学与环境科学学院, 河北 保定071002
摘要
在Tris-HCl缓冲溶液(pH=7.4)中, 分别研究了莫西沙星、诺氟沙星、氧氟沙星、恩诺沙星、洛美沙星、环丙沙星与牛血清白蛋白的相互作用, 利用计算药物小分子与蛋白结合常数的常用方程: Scatchard修正方程、Lineweaver-Burk双倒数方程、双对数方程、修正的Stern-Volmer方程、改进的双对数方程, 分别计算了各沙星药物与蛋白的结合常数和结合位点数。对计算结果进行比较, 结果表明对于药物与蛋白为1∶1的结合反应, 除Scatchard修正方程外其他方程的计算结果十分接近, 其中改进的双对数方程的计算结果更加合理准确。
Abstract
In Tris-HCl buffer solution (pH=7.4), the interactions of moxifloxacin, norfloxacin, ofloxacin, enrofloxacin, lomefloxacin, and ciprofloxacin with bovine serum albumin were studied, respectively. Using modified Scatchard equation, Lineweaver-Burk double reciprocal equation, double logarithmic equation, modified Stern-Volmer equation, and improved double logarithmic equation, the binding constants and binding points of drugs with bovine serum albumin were calculated, respectively. For the binding reaction of drug-protein ratio of 1∶1, the calculation results are very close except modified Scatchard equation, and the improved double logarithmic equation is the most accurate.

郭莹, 刘保生, 李志云, 张丽惠, 吕运开. 不同方程计算药物小分子与蛋白结合常数的比较研究[J]. 发光学报, 2014, 35(9): 1114. GUO Ying, LIU Bao-sheng, LI Zhi-yun, ZHANG Li-hui, LYU Yun-kai. Comparative Study of Binding Constants Between Small Molecule Drugs and Protein Calculated by Different Equation[J]. Chinese Journal of Luminescence, 2014, 35(9): 1114.

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