Combining non-in situ, in situ and molecular dynamics simulations to reveal the effects of ultra-high pressure on horseradish peroxidase

文献类型： 外文期刊

第一作者： Yang, Jiaxin

作者： Yang, Jiaxin;Zhang, Sinan;Jiang, Zhuo;Zhang, Sinan;Lu, Han;Lu, Han;Jin, Mingliang;Jin, Mingliang;Zheng, Haiyan;Cheng, Lina

作者机构：

关键词： Horseradish peroxidase; Ultra-high pressure; In situ monitoring; Molecular dynamics simulation; Surface-enhanced Raman scattering

期刊名称：FOOD BIOSCIENCE （ 影响因子：5.9； 五年影响因子：6.1 ）

ISSN： 2212-4292

年卷期： 2025 年 65 卷

页码：

收录情况： SCI

摘要： To investigate the structure-activity relationship of horseradish peroxidase (HRP) under different pressure treatments, we employed a combination of non-in situ, in situ, and molecular dynamics simulations. In particular, we used a Diamond-Anvil Cell (DAC) and spectroscopic methods to study the structural changes of HRP under pressure from 0.1 MPa to 5.5 GPa in situ. The results showed that after being treated at 6 GPa, the enzyme activity of HRP remained at 7.04%. Between 3 and 4.5 GPa, there was a dramatic structural change. Pressure altered the volume, backbone, secondary structure, heme porphyrin ring, and hydrogen bonds of HRP, thereby reducing enzyme activity. This study reveals the mechanism by which pressure affects the structure-activity relationship of HRP.

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