文献类型：期刊文献

英文题名：Characterization of Structures and Molecular Interactions of Ferulic Acid Ethyl Ester with Human Serum Albumin and Lysozyme by Multi-Methods

作者：Tong, Wenhua[1,2]; Wang, Shuqin[1]; Chen, Guanying[1]; Li, Dongxu[1]; Wang, Yansen[1]; Zhao, Liming[3]; Yang, Ying[1]

机构：[1] School of Biological Engineering, Sichuan University of Science and Engineering, Yibin, 644000, China; [2] Key Laboratory of Brewing Biotechnology and Application, Yibin, 644000, China; [3] School of Biotechnology, East China University of Science and Technology, Shanghai, 200000, China

年份：2024

外文期刊名：SSRN

收录：EI(收录号：20240033742)

语种：英文

外文关键词：Accident prevention - Binding energy - Binding sites - Esters - Fluorescence - Fluorescence spectroscopy - Metal ions - Molecular dynamics - Ultraviolet visible spectroscopy

摘要：Ferulic acid ethyl ester (FAEE) is a basic raw material for production of drugs for the treatment of cardiovascular and cerebrovascular diseases and leukopenia, as well as a fixed aroma agent for food production, with high pharmacological activity. In this work, we characterize the interaction of FAEE with Human serum albumin (HSA) and Lysozyme (LZM) was studied by multi-spectrum and molecular dynamics simulations at four different temperatures, the quenching mechanism of FAEE-HSA and FAEE-LZM were explained. Meanwhile, the binding constants, binding sites, thermodynamic parameters, Molecular dynamics, molecular docking binding energy and the influence of metal ions in the system were calculated. According to the results of Synchronous fluorescence spectroscopy, UV-vis spectroscopy, CD, Three-dimensional fluorescence spectrum and RLS, in the presence of FAEE, the microenvironment of HSA and LZM changes, the protein conformation changes. Furthermore, the effects of some common metal ions on the binding constants of FAEE-HSA and FAEE-LZM were also investigated. Our studies have important implications for understanding the transport and metabolism of small molecule, will promote the application of FAEE in the cosmetics industry, food industry and pharmaceutical research, and also have important guiding significance for food safety, drug design and development. ? 2024, The Authors. All rights reserved.