【摘要】 目的:分析新型冠状病毒(SARS-CoV-2)表面棘突蛋白的结构和B细胞表位。方法:首先利用Protparam对SARS-CoV-2棘突蛋白的物理化学性质特征进行分析。随后通过Clustal软件,对SARS-CoV-2和SARS-CoV棘突蛋白中的功能区域进行分析,并结合同源模拟,明确棘突蛋白的空间结构和折叠特征。综合DNAStar、ABCpred和BepiPred结果,筛选SARS-CoV-2棘突蛋白的线性B细胞表位,同时利用ElliPro、DiscoTope、SEPPA对棘突蛋白的构象B细胞表位进行综合预测。结果:通过同源模拟,SARS-CoV-2的棘突蛋白是同源三聚体结构,并且与SARS-CoV的棘突蛋白相似,也具有两种受体结合区域构象。通过综合多种免疫信息学工具及进一步筛选,11条线性表位(B9-B14和B27-B31)及5条构象表位(CB4-CB8)被筛出。结论:本研究筛选出的SARS-CoV-2棘突蛋白的16条B细胞表位,包括11条线性表位(B9-B14和B27-B31)及5条构象表位(CB4-CB8),可作为潜在的新型冠状病毒肺炎免疫原疫苗研发的候选表位。更多还原

【Abstract】 Objective: To analyse the structure and B-cell epitope of spike protein from SARS-CoV-2 surface. Methods: Firstly, the physiochemical properties of the SARS-Cov-2 spike protein were analyzed by the Protparam.Subsequently, the architecture of the SARS-CoV-2 spike protein was compared with that of SARS-CoV by sequence alignment in Clustal. The tertiary structure of SARS-CoV-2 spike protein was built by homologous modelling. Finally, both linear and conformational epitopes in spike protein were predicted by different immunoinformatic approaches including DNAStar, ABCpred, BepiPred, ElliPro, DiscoTope and SEPPA. Results: Through homologous simulation, the spike protein on SARS-CoV-2 was a homo-trimer and had two different conformations of receptor-binding domain which was similar with SARS-CoV. By combining multiple immunoinformatics tools and further screening, eleven linear epitopes(B9-B14 and B27-B31) and five conformational epitopes(CB4-CB8) were screened out. Conclusions: Sixteen B cell epitopes of SARS-CoV-2 spike protein, including eleven linear epitopes(B9-B14 and B27-B31) and five conformational epitopes(CB4-CB8), were suggested to be the potential candidate epitopes for the development of novel coronavirus pneumonia immunogenicity vaccine in the study.更多还原