Department of Pharmacy, Faculty of Biological Sciences, University of Chittagong, Chittagong, 4331, Bangladesh.
Faculty of Pharmacy, Hasanuddin University, Tamalanrea, Kota Makassar, Sulawesi Selatan, 90245, Indonesia.
Comput Biol Med. 2020 Sep;124:103967. doi: 10.1016/j.compbiomed.2020.103967. Epub 2020 Aug 13.
With a large number of fatalities, coronavirus disease-2019 (COVID-19) has greatly affected human health worldwide. Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the virus that causes COVID-19. The World Health Organization has declared a global pandemic of this contagious disease. Researchers across the world are collaborating in a quest for remedies to combat this deadly virus. It has recently been demonstrated that the spike glycoprotein (SGP) of SARS-CoV-2 is the mediator by which the virus enters host cells.
Our group comprehensibly analyzed the SGP of SARS-CoV-2 through multiple sequence analysis and a phylogenetic analysis. We predicted the strongest immunogenic epitopes of the SGP for both B cells and T cells.
We focused on predicting peptides that would bind major histocompatibility complex class I. Two optimal epitopes were identified, WTAGAAAYY and GAAAYYVGY. They interact with the HLA-B*15:01 allele, which was further validated by molecular docking simulation. This study also found that the selected epitopes are able to be recognized in a large percentage of the world's population. Furthermore, we predicted CD4 T-cell epitopes and B-cell epitopes.
Our study provides a strong basis for designing vaccine candidates against SARS-CoV-2. However, laboratory work is required to validate our theoretical results, which would lay the foundation for the appropriate vaccine manufacturing and testing processes.
新型冠状病毒病-2019(COVID-19)导致大量死亡,对全球人类健康造成了巨大影响。严重急性呼吸系统综合征冠状病毒 2(SARS-CoV-2)是引发 COVID-19 的病毒。世界卫生组织已宣布这种传染性疾病为全球性大流行。世界各地的研究人员正在合作寻找治疗这种致命病毒的方法。最近已经证明,SARS-CoV-2 的刺突糖蛋白(SGP)是病毒进入宿主细胞的介导物。
我们的小组通过多序列分析和系统发育分析对 SARS-CoV-2 的 SGP 进行了全面分析。我们预测了 SGP 对 B 细胞和 T 细胞的最强免疫原性表位。
我们专注于预测与主要组织相容性复合物 I 类结合的肽段。鉴定出两个最佳的表位为 WTAGAAAYY 和 GAAAYYVGY。它们与 HLA-B*15:01 等位基因相互作用,通过分子对接模拟进一步验证。这项研究还发现,所选表位能够被世界上大部分人口识别。此外,我们还预测了 CD4 T 细胞表位和 B 细胞表位。
我们的研究为设计针对 SARS-CoV-2 的疫苗候选物提供了有力的依据。然而,需要实验室工作来验证我们的理论结果,这将为适当的疫苗制造和测试过程奠定基础。