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以99mTc-BAT类和99mTc-DADT类异构体脑显像剂为研究对象,采用计算机模拟技术,对99mTc-配合物的静电水化能进行研究分析.结果表明:不仅99mTc-脑放射性药物异构体脑吸收值与静电水化能有很大的相关性,而且99mTc-配合物的syn和anti异构体脑吸收值比值对数与其静电水化能的差值亦呈线性关系.此外,从分子水平上探讨了影响99mTc-放射性药物脑吸收值的重要因素以及不同99mTc-配合物异构体间生物分布差异的原因,为99mTc-脑显像剂的合理药物设计提供了参考.
The 99mTc-BAT and 99mTc-DADT isoforms brain imaging agents were used as research objects, and the electrostatic hydration energy of 99mTc-complex was studied by computer simulation technique.The results showed that not only 99mTc-brain radiopharmaceutical There is a strong correlation between brain absorbance and electrostatic hydration energy, and there is a linear relationship between the logarithm of the ratio of brain absorbance of syn and anti isomers of 99mTc-complex to the difference of its electrostatic hydration energy.In addition, At the molecular level, the factors affecting the brain absorption value of 99mTc-radiopharmaceuticals and the reasons for the differences in biodistribution between different 99mTc-complex isomers were explored, which provided a reference for rational drug design of 99mTc-brain imaging agents.