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免疫信息学指导的基于表位的严重急性呼吸综合征冠状病毒 2 刺突糖蛋白疫苗的设计。

Immunoinformatics-guided design of an epitope-based vaccine against severe acute respiratory syndrome coronavirus 2 spike glycoprotein.

机构信息

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.

出版信息

Comput Biol Med. 2020 Sep;124:103967. doi: 10.1016/j.compbiomed.2020.103967. Epub 2020 Aug 13.

DOI:10.1016/j.compbiomed.2020.103967
PMID:32828069
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7423576/
Abstract

AIMS

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.

MAIN METHODS

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.

KEY FINDINGS

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.

SIGNIFICANCE

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.

摘要

目的

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。

主要方法

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。

主要发现

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。

意义

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。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a8c9/7423576/e6dbbcdc1d33/gr6_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a8c9/7423576/097f0eb997fb/gr1_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a8c9/7423576/6955c8a6696d/gr2_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a8c9/7423576/885fb0fd3e3c/gr3_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a8c9/7423576/6cac445dd0b2/gr4_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a8c9/7423576/1dcbb3c92437/gr5_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a8c9/7423576/e6dbbcdc1d33/gr6_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a8c9/7423576/097f0eb997fb/gr1_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a8c9/7423576/6955c8a6696d/gr2_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a8c9/7423576/885fb0fd3e3c/gr3_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a8c9/7423576/6cac445dd0b2/gr4_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a8c9/7423576/1dcbb3c92437/gr5_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a8c9/7423576/e6dbbcdc1d33/gr6_lrg.jpg

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