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中国精品科技期刊2020
张宏博,康宁波,周良欢,等. 真空预冷压强对鲜枸杞SOD酶活性的影响及分子动力学模拟[J]. 食品工业科技,2025,46(1):1−7. doi: 10.13386/j.issn1002-0306.2023120167.
引用本文: 张宏博,康宁波,周良欢,等. 真空预冷压强对鲜枸杞SOD酶活性的影响及分子动力学模拟[J]. 食品工业科技,2025,46(1):1−7. doi: 10.13386/j.issn1002-0306.2023120167.
ZHANG Hongbo, KANG Ningbo, ZHOU Lianghuan, et al. Influence of Vacuum Precooling Pressure on SOD Enzyme Activity of Fresh Lycium Barbarum and Molecular Dynamics Simulation[J]. Science and Technology of Food Industry, 2025, 46(1): 1−7. (in Chinese with English abstract). doi: 10.13386/j.issn1002-0306.2023120167.
Citation: ZHANG Hongbo, KANG Ningbo, ZHOU Lianghuan, et al. Influence of Vacuum Precooling Pressure on SOD Enzyme Activity of Fresh Lycium Barbarum and Molecular Dynamics Simulation[J]. Science and Technology of Food Industry, 2025, 46(1): 1−7. (in Chinese with English abstract). doi: 10.13386/j.issn1002-0306.2023120167.

真空预冷压强对鲜枸杞SOD酶活性的影响及分子动力学模拟

Influence of Vacuum Precooling Pressure on SOD Enzyme Activity of Fresh Lycium Barbarum and Molecular Dynamics Simulation

  • 摘要: 为探究真空预冷处理对鲜枸杞超氧化物歧化酶(superoxide dismutase,SOD)活性的影响及其分子水平机理,本研究将宁夏新鲜枸杞置于真空预冷900、1100 Pa压强下处理,提取粗酶液进行SOD酶活性测定,并进行150 ns分子动力学模拟研究SOD酶在不同真空预冷压强处理下的内部变化,分析均方根误差、回旋半径、总能量、势能、动能、键角能、均方根涨落、氢键数量、表面结构、溶剂可及表面积的改变,进而筛选出真空预冷处理的最佳压强条件。结果显示,900 Pa处理下SOD酶活最高。分子动力学模拟结果表明,体系总能量、势能、动能及键角能均处于平衡稳定状态,压强增大使得蛋白质表面结构改变,氢键数量减少,溶剂可及表面积不断减小。在900 Pa处理下,蛋白质结构最紧密,活性口袋变宽且易与蛋白结合。而1100 Pa处理下酶蛋白活性降低,蛋白结构破坏,活性口袋变小。本研究可为研究鲜枸杞保鲜及加工提供科学参考。

     

    Abstract: In order to investigate the effect of vacuum precooling on superoxide dismutase (SOD) enzyme activity of fresh Lycium barbarum and its molecular level mechanism, this paper explored the activity of SOD enzyme in crude enzyme liquid extracted from fresh Lycium barbarum of Ningxia was determined under 900 Pa and 1100 Pa vacuum precooling final pressure. The structural changes of SOD enzyme under different vacuum precooling pressure treatments were studied using molecular dynamics simulation for 150 ns, which included the changes of root mean square deviation (RMSD), radius of gyration (Rg), total energy, potential energy, kinetic energy, bond angle energy, root mean square fluctuation (RMSF), number of hydrogen bonds, surface structure and solvent accessible surface area (SASA). Then the optimum pressure conditions for vacuum precooling treatment were selected. The results of experiments showed that the activity of SOD enzyme was the highest under 900 Pa. The results of molecular dynamics simulation showed that the total energy, potential energy, kinetic energy and bond angle energy of SOD enzyme were in a balanced and stable state. An increase in pressure could cause changes in the surface structure of proteins, reduced the number of hydrogen bonds, and continuously decreased the solvent accessible surface area. Under the condition of 900 Pa, the protein structure was the most compact, and binding pocket became wider and easier to bind to the protein. The activity of SOD enzyme protein decreased under 1100 Pa, the protein structure was damaged, and binding pocket became smaller. This study could provide a scientific reference for the study of fresh Lycium barbarum preservation and processing.

     

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