Citation: Zhen Song, Lingjun Han, Yajie Wang, Binsheng Yang. Study on Hydrophobic Interaction of Resveratrol with CopC by Spectroscopic and Docking Methods[J]. Chemistry, ;2021, 84(4): 388-393. shu

Study on Hydrophobic Interaction of Resveratrol with CopC by Spectroscopic and Docking Methods

1.
Department of Chemistry, Taiyuan Normal University, Jinzhong, 030619
2.
Key Laboratory of Chemical Biology and Molecular Engineering of Ministry of Education, Institute of Molecular Science, Shanxi University, Taiyuan, 030006

Corresponding author: Zhen Song, songzhen@tynu.edu.cn
Received Date: 10 October 2020
Accepted Date: 9 November 2020

Figures(9)

Resveratrol, a natural phytoalexin as well as a type of polyphenolic compound, exists in peanuts, wines, grapes and different berries. CopC is a redox switch for modulating copper, and its interaction with small molecules affects the switching function. This work focuses on investigating the resveratrol-CopC interaction using FTIR, CD, fluorescence lifetime, three-dimensional (3D) fluorescence spectroscopy, fluorescence spectroscopic and molecular docking. As revealed by the FTIR, CD and fluorescence lifetime assays, the combination of resveratrol changed the conformation of CopC. The results suggested that the content of β-sheet decreased, and the content of random coil increased. The 3D fluorescence spectroscopy and molecular docking studies showed that after resveratrol is combined with CopC, the fluorescence spectrum appears blue shift, indicating that resveratrol may be bound to the hydrophobic region of CopC. Also, as demonstrated by the fluorescence quenching data, resveratrol and CopC present a binding ratio of 1∶1, and the obtained binding constant is (6.76±0.17)×10⁵ L·mol^-1. Based on thermodynamic parameters, CopC-resveratrol complex is formed under the impact of hydrophobic force. What's more, Förster non-radioactive resonance energy transfer together with molecular docking were used to determine the average binding distance between the resveratrol and the tryptophan in CopC. The simulation results are in good agreement with the experimental results. This study will provide help to clarify the copper regulation mechanism of CopC.
- CopC,
- Resveratrol,
- Fluorescence
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沈阳化工大学材料科学与工程学院沈阳 110142