Effect of chitooligosaccharide on the inhibition of SARS-CoV-2 main protease.

IF 11.3 1区医学 Q1 Medicine Biomaterials Research Pub Date : 2023-02-17 DOI:10.1186/s40824-023-00351-4

Qian Wang, Yuanyuan Song, Mungu Kim, Sei Kwang Hahn, Ge Jiang

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引用次数: 1

Abstract

Background: The main protease (Mpro) is a crucial target for severe acute respiratory syndrome coronavirus (SARS-CoV-2). Chitooligosaccharide (CS) has broad-spectrum antiviral activity and can effectively inhibit the activity of SARS-CoV. Here, based on the high homology between SARS-CoV-2 and SARS-CoV, this study explores the effect and mechanism of CS with various molecular weights on the activity of SARS-CoV-2 Mpro.

Methods: We used fluorescence resonance energy transfer (FRET), UV-Vis, synchronous fluorescence spectroscopy, circular dichroism (CD) spectroscopy and computational simulation to investigate the molecular interaction and the interaction mechanism between CS and SARS-CoV-2 Mpro.

Results: Four kinds of CS with different molecular weights significantly inhibited the activity of Mpro by combining the hydrogen bonding and the salt bridge interaction to form a stable complex. Glu166 appeared to be the key amino acid. Among them, chitosan showed the highest inhibition effect on Mpro enzyme activity and the greatest impact on the spatial structure of protein. Chitosan would be one of the most potential anti-viral compounds.

Conclusion: This study provides the theoretical basis to develop targeted Mpro inhibitors for the screening and application of anti-novel coronavirus drugs.

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壳寡糖对SARS-CoV-2主要蛋白酶的抑制作用。

背景:主要蛋白酶(Mpro)是严重急性呼吸综合征冠状病毒(SARS-CoV-2)的关键靶点。壳寡糖(Chitooligosaccharide, CS)具有广谱抗病毒活性，能有效抑制SARS-CoV的活性。本研究基于SARS-CoV-2与SARS-CoV的高度同源性，探讨不同分子量的CS对SARS-CoV-2 Mpro活性的影响及其机制。方法:采用荧光共振能量转移(FRET)、紫外可见、同步荧光光谱、圆二色(CD)光谱和计算模拟等方法研究CS与SARS-CoV-2 Mpro的分子相互作用及其机制。结果:4种不同分子量的CS通过结合氢键和盐桥相互作用形成稳定的配合物，显著抑制了Mpro的活性。Glu166似乎是关键氨基酸。其中，壳聚糖对Mpro酶活性的抑制作用最大，对蛋白质空间结构的影响最大。壳聚糖可能是最有潜力的抗病毒化合物之一。结论:本研究为开发靶向Mpro抑制剂，为新型冠状病毒药物的筛选和应用提供了理论依据。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Biomaterials Research Medicine-Medicine (miscellaneous)

CiteScore

10.20

自引率

3.50%

发文量

审稿时长

30 days

期刊介绍： Biomaterials Research, the official journal of the Korean Society for Biomaterials, is an open-access interdisciplinary publication that focuses on all aspects of biomaterials research. The journal covers a wide range of topics including novel biomaterials, advanced techniques for biomaterial synthesis and fabrication, and their application in biomedical fields. Specific areas of interest include functional biomaterials, drug and gene delivery systems, tissue engineering, nanomedicine, nano/micro-biotechnology, bio-imaging, regenerative medicine, medical devices, 3D printing, and stem cell research. By exploring these research areas, Biomaterials Research aims to provide valuable insights and promote advancements in the biomaterials field.