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异土木香内酯与人血清白蛋白的相互作用:多谱分析和对接模拟。

Isorenieratene interaction with human serum albumin: Multi-spectroscopic analyses and docking simulation.

机构信息

Natural Product Laboratory, Department of Food Science and Technology, Huazhong Agricultural University, Wuhan, Hubei 430070, People's Republic of China.

Agricultural Bioinformatics Key Laboratory of Hubei Province, College of informatics, Huazhong Agricultural University, Wuhan, People's Republic of China.

出版信息

Food Chem. 2018 Aug 30;258:393-399. doi: 10.1016/j.foodchem.2018.02.105. Epub 2018 Feb 21.

Abstract

Isorenierantene was reported to be an aromatic carotenoid and has become a food ingredient, mainly from smear cheese, which possesses special antioxidant ability and significant photoprotective effect. In this paper, the interaction of isorenieratene with human serum albumin (HSA) was explored and compared with that of nonaromatic carotenoids using multi-spectroscopic methods and docking simulations. The results suggested isorenieratene could bind to HSA through a static quenching mechanism. The binding processes were spontaneous and exothermic, and the binding between isorenieratene and HSA was mainly driven by hydrophobic forces and electrostatic attraction. Synchronous fluorescence spectroscopy, Fourier transform infrared (FT-IR) spectroscopy, and surface-enhanced Raman scattering (SERS) experiments showed isorenieratene may change the secondary structure of HSA and the micro-environment of its amino acids. Additionally, isorenieratene showed higher stability during the binding process than did nonaromatic carotenoids. Docking simulation indicated isorenieratene may bind to HSA at site II.

摘要

异戎烯酮被报道为一种芳香类类胡萝卜素,已经成为一种食品成分,主要来源于涂抹干酪,它具有特殊的抗氧化能力和显著的光保护作用。本文采用多种光谱法和对接模拟方法,研究了异戎烯酮与人血清白蛋白(HSA)的相互作用,并与非芳香类类胡萝卜素进行了比较。结果表明,异戎烯酮可以通过静态猝灭机制与 HSA 结合。结合过程是自发的和放热的,异戎烯酮与 HSA 之间的结合主要是由疏水作用力和静电引力驱动的。同步荧光光谱、傅里叶变换红外(FT-IR)光谱和表面增强拉曼散射(SERS)实验表明,异戎烯酮可能会改变 HSA 的二级结构和其氨基酸的微环境。此外,异戎烯酮在结合过程中表现出比非芳香类类胡萝卜素更高的稳定性。对接模拟表明,异戎烯酮可能结合在 HSA 的 II 位点上。

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