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广谱抗体与甲型流感病毒血凝素的分子对接

Molecular Docking of Broad-Spectrum Antibodies on Hemagglutinins of Influenza A Virus.

作者信息

Le Khanh Pb, Do Phuc-Chau, Amaro Rommie E, Le Ly

机构信息

School of Biotechnology, International University, Vietnam National University, Ho Chi Minh City, Vietnam.

Department of Chemistry and Biochemistry, University of California, San Diego, CA, USA.

出版信息

Evol Bioinform Online. 2019 Sep 16;15:1176934319876938. doi: 10.1177/1176934319876938. eCollection 2019.

DOI:10.1177/1176934319876938
PMID:31555044
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6747855/
Abstract

Influenza A has caused several deadly pandemics throughout human history. The virus is often resistant to developed treatments because of its genetic drift or shift property. Broad-spectrum antibodies show a promising potential to overcome the resistance of influenza viruses. studies on broad-reactive antibodies and their interactions with hemagglutinins might shed light on the rational design of a universal vaccine. In this study, 11 broad-spectrum antibodies (or antigen-binding fragments) and 14 hemagglutinins of H3N2 and H5N1 strains were docked and analyzed to provide information about the construction of the scaffold for using universal antibodies against the influenza A virus. Antigen-binding fragments that have high number of appearances in the top 3 within each H3 and H5 subtypes were chosen for protein-protein interaction analysis. The results show that while the hydrogen bond is important for Ab/Fab binding to H3, the H5-Ab/Fab system may need cation-pi interaction for a strong interaction.

摘要

甲型流感在人类历史上已引发多次致命的大流行。由于其基因漂移或转变特性,该病毒往往对已研发的治疗方法产生抗性。广谱抗体在克服流感病毒抗性方面显示出有前景的潜力。对广谱反应性抗体及其与血凝素相互作用的研究可能会为通用疫苗的合理设计提供线索。在本研究中,对接并分析了11种广谱抗体(或抗原结合片段)以及H3N2和H5N1毒株的14种血凝素,以提供有关构建用于对抗甲型流感病毒的通用抗体支架的信息。选择在每个H3和H5亚型中排名前3且出现次数较多的抗原结合片段进行蛋白质-蛋白质相互作用分析。结果表明,虽然氢键对于抗体/抗原结合片段与H3的结合很重要,但H5-抗体/抗原结合片段系统可能需要阳离子-π相互作用才能实现强相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1aaa/6747855/b8ff4dd84a1d/10.1177_1176934319876938-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1aaa/6747855/690d5d453f84/10.1177_1176934319876938-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1aaa/6747855/b8ff4dd84a1d/10.1177_1176934319876938-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1aaa/6747855/690d5d453f84/10.1177_1176934319876938-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1aaa/6747855/b8ff4dd84a1d/10.1177_1176934319876938-fig2.jpg

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