相关实验视频
Updated: Jun 29, 2025
13:00
Engineering Antiviral Agents via Surface Plasmon Resonance
Published on: June 14, 2022
2.3K
SARS-CoV-2 Omicron 亚型在与人类的结合性亲缘关系上没有太大的区别 ACE2:分子动力学研究
Hoang Linh Nguyen1,2, Thai Quoc Nguyen3,4, Mai Suan Li5
1Institute of Fundamental and Applied Sciences, Duy Tan University, Ho Chi Minh City 700000, Vietnam.
The journal of physical chemistry. B
|April 2, 2024
概括
SARS-CoV-2 的 Omicron 变种强烈结合人类的 ACE2,但结合亲缘关系在各个血统中是相似的. 病毒进化可能会优先考虑免疫逃避,而不是增加ACE2结合.
科学领域:
- 病毒学 病毒学
- 生物物理学的生物物理.
- 计算生物学 计算生物学
背景情况:
- 欧米克朗 (B.1.1.529) 变种的SARS-CoV-2增加了COVID-19的流行病严重程度,由于高传染性.
- 奥米克朗比野生型病毒对人类ACE2的结合更强.
- 新兴的Omicron血统显示出增强受体结合和免疫逃避的潜力.
研究的目的:
- 研究各种Omicron血统和人类ACE2之间的结合自由能量.
- 确定较新的Omicron亚变体是否改善了与ACE2的结合亲和力.
- 了解控制Omicron变种和人类细胞之间的相互作用的力量.
主要方法:
- 所有原子的分子动力学模拟.
- 分子力学 波松-博尔兹曼表面积 (MM/PBSA) 的计算.
- 对多个Omicron系 (BA.2, BA.2.3.20, BA.3, BA4/BA5, BA.2.75, BA.2.75.2, BA.4.6, XBB.1, XBB.1.5, BJ.1, BN.1, BQ.1.1, CH.1.1) 的结合自由能量进行分析,以人类ACE2.2.
主要成果:
- 与BA.1谱系相比,所有研究的Omicron谱系都显示出对人类ACE2的结合亲和力增加.
- 在研究的Omicron系中,BA.2.75和BA.2.75.2亚变体对ACE2的结合最强.
- 总体而言,Omicron血统之间的结合亲缘关系并没有显著不同;静电力主导了与范德瓦尔斯力之间的相互作用.
结论:
- 虽然Omicron变种有效地结合人类ACE2,但结合亲和力的进一步显著改善并不明显.
- SARS-CoV-2的病毒进化可能更多地关注免疫逃避机制,而不是加强ACE2结合.
- 了解这些相互作用对于预测病毒传播和开发有效的对策至关重要.
相关概念视频
02:50Conjugated Proteins
18.3K
Simple proteins and protein complexes contain only amino acids. In contrast, many other proteins, called conjugated proteins, covalently bond with non-protein moieties.
Nucleoproteins are protein complexes that contain nucleic acids, categorized as deoxyribonucleoproteins (DNPs) or ribonucleoproteins (RNPs) respectively. The nucleosome is a typical example of a DNP where nuclear DNA is associated with histone proteins. The major antigen for the Covid-19 virus SARS-CoV is an RNP that is critical...
Nucleoproteins are protein complexes that contain nucleic acids, categorized as deoxyribonucleoproteins (DNPs) or ribonucleoproteins (RNPs) respectively. The nucleosome is a typical example of a DNP where nuclear DNA is associated with histone proteins. The major antigen for the Covid-19 virus SARS-CoV is an RNP that is critical...
18.3K
00:49Ligand Binding and Linkage
4.8K
Allosteric proteins have more than one ligand binding site; the binding of a ligand to any of these sites influences the binding of ligands to the other sites. When a protein is allosteric, its binding sites are called coupled or linked. In the case of enzymes, the site that binds to the substrate is known as the active site and the other site is known as the regulatory site. When a ligand binds to the regulatory site, this leads to conformational changes in the protein that can influence...
4.8K