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一种抗甲型流感病毒多表位的计算设计与分析

Computational Design and Analysis of a Multi-epitope Against Influenza A virus.

作者信息

Rostaminia Samaneh, Aghaei Seyed Soheil, Farahmand Behrokh, Nazari Raziye, Ghaemi Amir

机构信息

Department of Microbiology, Qom Branch, Islamic Azad University, Qom, Iran.

Department of Influenza and Other Respiratory Viruses, Pasteur Institute of Iran, 69, P.O.Box: 1316943551, Tehran, Iran.

出版信息

Int J Pept Res Ther. 2021;27(4):2625-2638. doi: 10.1007/s10989-021-10278-w. Epub 2021 Sep 12.

DOI:10.1007/s10989-021-10278-w
PMID:34539293
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8435298/
Abstract

Influenza A viruses are among the most studied viruses, however no effective prevention against influenza infection has been developed. So, designing an effective vaccine against Influenza A virus is a critical issue in the field of medical biotechnology. For this reason, to combat this disease, we have designed a novel multi-epitope vaccine candidate based on the several conserved and potential linear B-cell and T-cell binding epitopes by using the in silico approach. This vaccine consists of an ER signal conserved sequence, the PADRE conserved epitope and two conserved epitopes of Influenza matrix protein 2. T-cell binding epitopes from Matrix protein 2 were predicted by in silico tools of epitope prediction. The selected epitopes were joined by flexible linkers and physicochemical properties, toxicity, and allergenecity were investigated. The designed vaccine was antigenic, immunogenic, and non-allergenic with suitable physicochemical properties and has higher solubility. The final multi-epitope construct was modeled, confirmed by different programs and the molecular interactions with immune receptors were considered. The molecular docking assay indicated the interactions with immune-stimulatory toll-like receptor 3 (TLR3) and major histocompatibility complex class I (MHCI). The HADDOCK and H DOCK servers were used to make docking analysis, respectively. The docking analysis indicated a strong and stable binding interaction between the vaccine construct with major histocompatibility complex (MHC) class I and toll-like receptor 3. Overall, the findings suggest that the current vaccine may be a promising vaccine to prevent Influenza infection.

摘要

甲型流感病毒是研究最多的病毒之一,然而尚未开发出有效的预防流感感染的方法。因此,设计一种针对甲型流感病毒的有效疫苗是医学生物技术领域的一个关键问题。出于这个原因,为了对抗这种疾病,我们利用计算机模拟方法,基于几种保守的和潜在的线性B细胞和T细胞结合表位,设计了一种新型多表位疫苗候选物。这种疫苗由一个内质网(ER)信号保守序列、PADRE保守表位和甲型流感病毒基质蛋白2的两个保守表位组成。通过表位预测的计算机模拟工具预测了来自基质蛋白2的T细胞结合表位。所选表位通过柔性接头连接,并研究了其物理化学性质、毒性和致敏性。所设计的疫苗具有抗原性、免疫原性且无致敏性,具有合适的物理化学性质且溶解度较高。对最终的多表位构建体进行了建模,通过不同程序进行了确认,并考虑了其与免疫受体的分子相互作用。分子对接分析表明其与免疫刺激的Toll样受体3(TLR3)和主要组织相容性复合体I类(MHCI)存在相互作用。分别使用HADDOCK和HDOCK服务器进行对接分析。对接分析表明疫苗构建体与主要组织相容性复合体(MHC)I类和Toll样受体3之间存在强烈且稳定的结合相互作用。总体而言,研究结果表明当前的疫苗可能是一种预防流感感染的有前景的疫苗。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16f3/8435298/2ccdf0489f7c/10989_2021_10278_Fig7_HTML.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16f3/8435298/3493a763a8b0/10989_2021_10278_Fig2_HTML.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16f3/8435298/d2eeef028987/10989_2021_10278_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16f3/8435298/11eed4d5a5d5/10989_2021_10278_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16f3/8435298/abfc40ce6bb0/10989_2021_10278_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16f3/8435298/2ccdf0489f7c/10989_2021_10278_Fig7_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16f3/8435298/646d0b12f77b/10989_2021_10278_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16f3/8435298/3493a763a8b0/10989_2021_10278_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16f3/8435298/e8082021edc4/10989_2021_10278_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16f3/8435298/d2eeef028987/10989_2021_10278_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16f3/8435298/11eed4d5a5d5/10989_2021_10278_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16f3/8435298/abfc40ce6bb0/10989_2021_10278_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16f3/8435298/2ccdf0489f7c/10989_2021_10278_Fig7_HTML.jpg

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