Significance of the RBD mutations in the SARS-CoV-2 omicron: from spike opening to antibody escape and cell attachment
Significance of the RBD mutations in the SARS-CoV-2 omicron: from spike opening to antibody escape and cell attachment
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DOI：
10.1039/d2cp00169a
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发表时间：
2022-03-30
影响因子：
3.3
通讯作者：
Chapagain, Prem
中科院分区：
文献类型：
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作者：
Hossen, Md Lokman;Baral, Prabin;Chapagain, Prem
我们通过计算研究了omicron RBD突变对其结构的作用以及与穗三聚体中周围结构域以及ACE 2的相互作用。我们的结果表明，与WT和delta相比，omicron RBD中的突变促进了更有效的RBD“向下”到“向上”构象以及ACE 2附着。这些作用，结合抗体逃避，可能有助于其对δ的优势。
We computationally investigated the role of the omicron RBD mutations on its structure and interactions with the surrounding domains in the spike trimer as well as with ACE2. Our results suggest that, compared to WT and delta, the mutations in the omicron RBD facilitate a more efficient RBD "down" to "up" conformation as well as ACE2 attachment. These effects, combined with antibody evasion, may have contributed to its dominance over delta.