Ab-CoV：冠状病毒相关抗体结合亲和力和中和特性的精心整理数据库。

Ab-CoV: a curated database for binding affinity and neutralization profiles of coronavirus-related antibodies.

机构信息

Protein Bioinformatics Lab, Department of Biotechnology, Bhupat and Jyoti Mehta School of Biosciences, Indian Institute of Technology Madras, Chennai, Tamil Nadu 600036, India.

Infection Biology Lab, Department of Biotechnology, Bhupat and Jyoti Mehta School of Biosciences, Indian Institute of Technology Madras, Chennai, Tamil Nadu 600036, India.

出版信息

Bioinformatics. 2022 Aug 10;38(16):4051-4052. doi: 10.1093/bioinformatics/btac439.

DOI:10.1093/bioinformatics/btac439

PMID:35771624

Abstract

SUMMARY

We have developed a database, Ab-CoV, which contains manually curated experimental interaction profiles of 1780 coronavirus-related neutralizing antibodies. It contains more than 3200 datapoints on half maximal inhibitory concentration (IC50), half maximal effective concentration (EC50) and binding affinity (KD). Each data with experimentally known three-dimensional structures are complemented with predicted change in stability and affinity of all possible point mutations of interface residues. Ab-CoV also includes information on epitopes and paratopes, structural features of viral proteins, sequentially similar therapeutic antibodies and Collier de Perles plots. It has the feasibility for structure visualization and options to search, display and download the data.

AVAILABILITY AND IMPLEMENTATION

Ab-CoV database is freely available at https://web.iitm.ac.in/bioinfo2/ab-cov/home.

SUPPLEMENTARY INFORMATION

Supplementary data are available at Bioinformatics online.

摘要

我们开发了一个数据库 Ab-CoV，其中包含了 1780 种冠状病毒相关中和抗体的人工 curated 实验相互作用谱。它包含了超过 3200 个关于半数最大抑制浓度 (IC50)、半数最大有效浓度 (EC50) 和结合亲和力 (KD) 的数据点。每个具有实验已知三维结构的数据都补充了预测的界面残基所有可能点突变的稳定性和亲和力变化。Ab-CoV 还包括表位和变构位、病毒蛋白的结构特征、顺序相似的治疗性抗体和 Collier de Perles 图的信息。它具有结构可视化的可行性，并提供了搜索、显示和下载数据的选项。