Insights into the Enhanced Catalytic Activity of Cytochrome c When Encapsulated in a Metal–Organic Framework,Journal of the American Chemical Society

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Insights into the Enhanced Catalytic Activity of Cytochrome c When Encapsulated in a Metal–Organic Framework
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2020-10-13 , DOI: 10.1021/jacs.0c07870
Yijing Chen ₁ , Felipe Jiménez-Ángeles ₂ , Baofu Qiao ₂ , Matthew D. Krzyaniak _{1,

3} , Fanrui Sha ₁ , Satoshi Kato ₁ , Xinyi Gong _{1,

4} , Cassandra T. Buru ₁ , Zhijie Chen ₁ , Xuan Zhang ₁ , Nathan C. Gianneschi _{1,

2,

4,

5} , Michael R. Wasielewski _{1,

3,

4} , Monica Olvera de la Cruz _{1,

2,

6,

7} , Omar K. Farha _{1,

3,

4,

6}

Affiliation

The encapsulation of enzymes within porous materials has shown great promise, not only in protecting the enzymes from denaturation under nonbiological environments, but also, in some cases, in facilitating their enzymatic reaction rates at favorable reaction conditions. While a number of hypotheses have been developed to explain this phenomenon, the detailed structural changes of the enzymes upon encapsulation within the porous material, which are closely related to their activity, remain largely elusive. Herein, the structural change of cytochrome c (Cyt c) upon encapsulation within a hierarchical metal-organic framework, NU-1000, is investigated through a combination of experimental and computational methods, such as electron paramagnetic resonance, solid-state ultraviolet-visible spectroscopy, and all-atom explicit solvent molecular dynamics simulations. The enhanced catalytic performance of Cyt c after being encapsulated within NU-1000 is supported by the physical and in silico observations of a change around the heme ferric active center.

中文翻译：

对封装在金属-有机框架中的细胞色素 c 催化活性增强的见解

酶在多孔材料中的封装已显示出巨大的前景，不仅可以保护酶在非生物环境下免于变性，而且在某些情况下，还可以在有利的反应条件下促进酶促反应速率。虽然已经提出了许多假设来解释这种现象，但与酶的活性密切相关的酶在包裹在多孔材料中时的详细结构变化仍然在很大程度上难以捉摸。在此，通过结合实验和计算方法，如电子顺磁共振、固态紫外-可见光谱，研究了细胞色素 c (Cyt c) 在封装在分级金属有机框架 NU-1000 中的结构变化, 和全原子显式溶剂分子动力学模拟。Cyt c 被包裹在 NU-1000 中后催化性能的增强得到了血红素铁活性中心周围变化的物理和计算机观察的支持。

更新日期：2020-10-13

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