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一种通过免疫信息学方法从核衣壳磷蛋白(N)和刺突糖蛋白(S)设计的抗2019冠状病毒病多肽疫苗。

A multiple peptides vaccine against COVID-19 designed from the nucleocapsid phosphoprotein (N) and Spike Glycoprotein (S) via the immunoinformatics approach.

作者信息

Abd Albagi Sahar Obi, Al-Nour Mosab Yahya, Elhag Mustafa, Tageldein Idris Abdelihalim Asaad, Musa Haroun Esraa, Adam Essa Mohammed Elmujtba, Abubaker Mustafa, Deka Hemchandra, Ghosh Arabinda, Hassan Mohammed A

机构信息

Department of Microbiology and Immunology, AL Neelain University, Khartoum, Sudan.

Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Omdurman Islamic University, Khartoum, Sudan.

出版信息

Inform Med Unlocked. 2020;21:100476. doi: 10.1016/j.imu.2020.100476. Epub 2020 Nov 10.

Abstract

Due to the current Coronavirus (COVID-19) pandemic, the rapid discovery of a safe and effective vaccine is an essential issue. Consequently, this study aims to predict a potential COVID-19 peptide-based vaccine utilizing the Nucleocapsid phosphoprotein (N) and Spike Glycoprotein (S) via the Immunoinformatics approach. To achieve this goal, several Immune Epitope Database (IEDB) tools, molecular docking, and safety prediction servers were used. According to the results, The Spike peptide is predicted to have the highest binding affinity to the B-Cells. The Spike peptide has the highest binding affinity to the Major Histocompatibility Complex class 1 (MHC I) Human Leukocyte Allele HLA-B1503 (according to the MDockPeP and HPEPDOCK servers, docking scores were -153.9 and -229.356, respectively). The Nucleocapsid peptides and have the highest binding affinity to the MHC I HLA-A0202 allele and the three the Major Histocompatibility Complex class 2 (MHC II) Human Leukocyte Allele HLA-DPA101:03/DPB102:01, HLA-DQA101:02/DQB1-*06:02, HLA-DRB1, respectively. Docking scores of peptide were -153.9 and -220.876. In contrast, docking scores of peptide were ranged from 218 to 318. Furthermore, those peptides were predicted as non-toxic and non-allergen. Therefore, the combination of those peptides is predicted to stimulate better immunological responses with respectable safety.

摘要

由于当前的冠状病毒(COVID-19)大流行,快速发现一种安全有效的疫苗是一个至关重要的问题。因此,本研究旨在通过免疫信息学方法,利用核衣壳磷蛋白(N)和刺突糖蛋白(S)预测一种潜在的基于COVID-19肽的疫苗。为实现这一目标,使用了几种免疫表位数据库(IEDB)工具、分子对接和安全性预测服务器。根据结果,刺突肽被预测对B细胞具有最高的结合亲和力。刺突肽对主要组织相容性复合体1类(MHC I)人类白细胞等位基因HLA-B1503具有最高的结合亲和力(根据MDockPeP和HPEPDOCK服务器,对接分数分别为-153.9和-229.356)。核衣壳肽 和 分别对MHC I HLA-A0202等位基因以及三种主要组织相容性复合体2类(MHC II)人类白细胞等位基因HLA-DPA101:03/DPB102:01、HLA-DQA101:02/DQB1-*06:02、HLA-DRB1具有最高的结合亲和力。肽 的对接分数为-153.9和-220.876。相比之下,肽 的对接分数范围为218至318。此外,这些肽被预测为无毒且无过敏原。因此,预计这些肽的组合能够以可观的安全性刺激更好的免疫反应。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ef6b/7654333/5cbe7098d94e/gr1_lrg.jpg

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