Shenzhen Institutes of Advanced Technology, Chinese Academy of Sciences, Shenzhen, Guangdong, China;
Micro Biotech, Ltd., Shanghai, China.
Immunohorizons. 2022 Jun 13;6(6):344-355. doi: 10.4049/immunohorizons.2200030.
Epitope mapping of the interactions between severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) and Abs is challenging because of complexity in protein three-dimensional structures. Protein structure fingerprint technology was applied for epitope mapping of 44 SARS-CoV-2 Abs with three-dimensional structure complexes. The results defined how the epitopes were distributed on SARS-CoV-2 and how the patterns of six CDRs from Abs participated in neutralization. Also, the residue-residue recognition revealed that certain residues had higher frequencies on the interfaces between SARS-CoV-2 and Abs, and the activity correlated with the physicochemical properties of the residues at the interface. Thus, epitope mapping provides significant lead information for development of epitope-based designs for Abs, vaccines, and diagnostic reagents. This is a bioinformatics project of structural data analysis; no animals or cells were used.
严重急性呼吸综合征冠状病毒 2（SARS-CoV-2）与 Abs 之间相互作用的表位作图具有挑战性，因为蛋白质三维结构非常复杂。应用蛋白质结构指纹技术对具有三维结构复合物的 44 种 SARS-CoV-2 Abs 进行表位作图。结果定义了表位在 SARS-CoV-2 上的分布方式以及 Abs 的六个 CDR 如何参与中和作用。此外，残基-残基识别表明，某些残基在 SARS-CoV-2 和 Abs 之间的界面上出现的频率更高，而活性与界面处残基的物理化学性质相关。因此，表位作图为基于表位的 Abs、疫苗和诊断试剂设计提供了重要的先导信息。这是一个结构数据分析的生物信息学项目，未使用动物或细胞。
