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针对HA1中和抗体的H5流感变体的大规模计算建模

Colby T Ford¹, Shirish Yasa², Khaled Obeid²

¹Center for Computational Intelligence to Predict Health and Environmental Risks (CIPHER), University of North Carolina at Charlotte, Charlotte, NC, USA; Department of Bioinformatics and Genomics, University of North Carolina at Charlotte, Charlotte, NC, USA; School of Data Science, University of North Carolina at Charlotte, Charlotte, NC, USA; Tuple LLC, Charlotte, NC, USA.

|March 18, 2025

概括

高致病性禽流感 (H5N1) 正在进化免疫逃生,削弱抗体的有效性. 这种病毒演变表明潜在的流行病风险,强调了医疗准备中需要先进的计算建模的需要.

科学领域:

病毒学病毒学
免疫学免疫学免疫学
计算生物学计算生物学

背景情况:

高致病性禽流感 (H5N1) 在2022-2025年期间在哺乳动物和鸟类中被检测到.
自2024年以来,美国已经报告了67例人类感染和1例H5N1死亡,其更广泛的健康影响尚不清楚.

研究的目的:

通过计算模型对抗中和抗体的H5分离物.
分析抗体结合亲和力和病毒免疫逃逸的演变.

主要方法:

基于AI的蛋白质折叠和基于物理的模拟被用来建模1804个蛋白质复合体.
分析了H5分离物 (1959-2024) 和11种HA1中和抗体之间的相互作用.
生物化学和生物物理结合指标评估了随时间的结合亲和力的变化.

主要成果:

随着时间的推移,观察到对H5分离物的抗体结合亲和力减弱的趋势.
H5N1病毒表明免疫系统从现有的抗体防御中逃脱出来.
没有单一的储存宿主或地点被确定为从鸟类传播H5N1到哺乳动物.

结论:

这些发现表明H5N1具有流行病的潜力.
高性能计算对于快速建模病毒进化和准备有价值.

关键词:

抗体是一种抗体.禽流感是禽流感的一种.停靠对接停靠对接蛋白质建模的模型动物传染病是动物传染病.

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