雷公藤红素与人血清白蛋白的相互作用

Interaction between Celastrol and Human Serum Albumin

通过使用荧光光谱、分光光度法以及等温滴定量热法等方法,研究了人血清白蛋白(HSA)与雷公藤红素的结合方式,采用分子对接的方式分析相互作用模式。荧光光谱结果可知,雷公藤红素与HSA主要通过氢键和范德华力结合,并且雷公藤红素猝灭HSA内源荧光的机制为静态猝灭,同时两者的结合过程主要受温度影响。在两者的结合过程中,会导致HSA的构象与微环境发生微小的改变。结合分子对接结果可知,两者的结合过程可能主要是通过疏水相互作用、范德华力等弱相互作用进行结合。为雷公藤红素在血液中的运输及传递提供了理论支持,对深入理解雷公藤红素的药效学和药代动力学性质具有重要的意义。

In this paper,fluorescence spectroscopy,spectrophotometry,and isothermal titration calorimetry were used to study the binding mode of simulated human serum albumin(HSA)and celastrol,and molecular docking was used to analyze the interaction mode.Fluorescence spectrum results showed that celastrol and HSA were mainly bound via hydrogen bond and intermolecular force,and the mechanism of celastrol quenching HSA endogenous fluorescence was static quenching,and the binding process of celastrol and HSA was mainly affected by temperature.In the combination process,it was revealed that the conformation and microenvironment of HSA would change slightly.Combining the molecular docking results,the bonding process of the two may be mainly governed by weak interactions such as hydrophobic interaction and intermolecular force.This study provides theoretical support for the transport and delivery of celastrol in blood and is of great significance for further understanding the pharmacodynamics and pharmacokinetic properties of celastrol.