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毒株之战5:SARS-CoV-2的BA.1至BA.4变体的结合吉布斯自由能

Strain wars 5: Gibbs energies of binding of BA.1 through BA.4 variants of SARS-CoV-2.

作者信息

Popovic Marko

机构信息

School of Life Sciences, Technical University of Munich, Freising, Germany.

出版信息

Microb Risk Anal. 2022 Dec;22:100231. doi: 10.1016/j.mran.2022.100231. Epub 2022 Aug 21.

Abstract

This paper reports, for the first time, standard Gibbs energies of binding of the BA.1, BA.2, BA.3, BA.2.13, BA.2.12.1 and BA.4 Omicron variants of SARS-CoV-2, to the Human ACE2 receptor. Variants BA.1 through BA.3 exhibit a trend of decreasing standard Gibbs energy of binding and hence increased infectivity. The BA.4 variant exhibits a less negative standard Gibbs energy of binding, but also more efficient evasion of the immune response. Therefore, it was concluded that all the analyzed strains evolve in accordance with expectations of the theory of evolution, albeit using different strategies.

摘要

本文首次报道了严重急性呼吸综合征冠状病毒2(SARS-CoV-2)的BA.1、BA.2、BA.3、BA.2.13、BA.2.12.1和BA.4奥密克戎变体与人类血管紧张素转换酶2(ACE2)受体结合的标准吉布斯自由能。BA.1至BA.3变体呈现出结合标准吉布斯自由能降低的趋势,因此传染性增加。BA.4变体的结合标准吉布斯自由能负值较小,但逃避免疫反应的效率也更高。因此,得出的结论是,所有分析的菌株都按照进化理论的预期进化,尽管采用了不同的策略。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fd8d/9392893/b927760d9a10/gr1_lrg.jpg

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