| 付金凤,姚红柳,尹广婷,周雪健,苏丽红.化学通报,2022,85(4):496-500. |
| 连翘酯苷A与弹性蛋白酶相互作用的研究 |
| Study on the Interaction between Forsythiaside A (FSA) and Elastase (PPE) |
| 投稿时间：2021-07-26 修订日期：2021-09-09 |
| DOI： |
| 中文关键词: 连翘酯苷A 弹性蛋白酶 光谱法 |
| 英文关键词:Forsythiaside A, Elastase, Spectrographic method |
| 基金项目:吉林省科技厅项目(20140101043JC);吉林省教育厅项目(吉教科合字[2013]第251号);长春师范大学自然科学(长师大自科合字 [2018] 第 016号) |
|
| 摘要点击次数: 900 |
| 全文下载次数: 0 |
| 中文摘要: |
| 摘 要 连翘的主要成分之一连翘酯苷A(FSA)有抗炎活性,对弹性蛋白酶有抑制作用。本文通过光谱法以及分子对接模拟法研究了FSA与弹性蛋白酶(PPE)的相互作用。荧光光谱分析表明FSA与PPE之间存在猝灭效应,猝灭类型为静态猝灭,能形成1:1的复合物,在298 K时结合常数为8.88×104 L·mol-1;热力学分析表明,FSA-PPE体系的主要结合作用力为氢键和范德华力,ΔG<0,说明该作用可自发进行;根据\mathrm{F}\ddot{\mathrm{o}}\mathrm{rster}非辐射能量转移理论计算得到FSA与PPE间的结合距离为2.181 nm,说明静态猝灭过程中发生的是非辐射能量转移;同步荧光光谱、紫外-可见吸收光谱、红外光谱结果表明FSA使PPE的疏水性增强,极性减小;红外光谱分析表明FSA与PPE有氢键作用,且使PPE无规则卷曲结构占比增加。圆二色光谱表明FSA对PPE的二级产生了影响,PPE中α-螺旋、β-折叠占比降低,无规则卷曲占比增加。分子对接结果表明FSA与PPE之间存在π-阳离子、π-π共轭、氢键和疏水作用力。表明FSA与PPE之间存在多种作用力,能够形成稳定的复合物,连翘酯苷A(FSA)能够抑制弹性蛋白酶的活性,具有抗炎作用。 |
| 英文摘要: |
| Abstract Forsythiaside A (FSA) is the one of the major components of Forsythia suspensa, which has anti-inflammatory activity and inhibitory effect of elastase. The binding characteristics between FSA and elastase (PPE) was studied by spectrophotometry and molecular docking simulation. Fluorescence spectrum analysis showed that there was an annihilation effect between FSA and PPE, and the mechanism of action was a static quenching. FSA can bind with PPE to from a 1:1 complex with a binding constant of 8.88×104 L·mol-1 at 298 K. Thermodynamic parameters showed that the main binding forces were hydrogen bond and Van der Waals force between FSA and PPE. ΔG<0 suggests that the reaction was a spontaneous process. According to FRET, the binding distance between FSA and PPE was calculated as 2.181 nm, which verified the energy transfer in the process was non-radiative. The results of synchronous fluorescence spectra and UV-vis and FTIR spectra showed that FSA enhances the hydrophobicity and decreases polarity of PPE. FTIR results also showed that FSA and PPE have hydrogen bonding effect, and the proportion of PPE irregular curling structure increases. The circular dichroism spectrum indicates that FSA has an effect on the secondary structure of PPE, and the proportion of α-helix and β-pleated decreased, and the proportion of irregular curls increased. The results of molecular docking show that there are π-cation, π-π conjugated effect, hydrogen bond and hydrophobic forces between FSA and PPE. There are multiple forces between FSA and PPE, which can form stable compounds, thus FSA inhibits the activity of elastase, and has anti-inflammatory effects. |
| 查看全文 查看/发表评论 下载PDF阅读器 |
| 关闭 |
|
|
|