基于神经氨酸酶蛋白的甲型流感候选疫苗多表位肽结构的计算机设计。

In Silico Pharmacology Pub Date : 2021-05-11 eCollection Date: 2021-01-01 DOI:10.1007/s40203-021-00095-w
Mandana Behbahani, Mohammad Moradi, Hassan Mohabatkar
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引用次数: 17

摘要

设计针对不同亚型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。在目前的研究中,基于神经氨酸酶蛋白设计了一种新的潜在的多表位候选疫苗,用于7种流感病毒亚型,使用计算机方法。利用计算机预测表位的工具预测了每种神经氨酸酶蛋白(N1、N2、N3、N4、N6、N7、N8)的潜在线性b细胞和t细胞结合表位。选择的表位通过三种不同的连接体连接,并对其理化性质、毒性和过敏性进行了研究。利用GalaxyWEB服务器对最终构建的多表位进行建模,研究其与免疫受体的分子相互作用,并进行免疫应答模拟实验。选择了一个具有GPGPGPG连接体的多表位构建体,其致敏性最低,稳定性最高。分子对接实验显示其与免疫系统受体,包括HLA1、HLA2和TLR-3相互作用。免疫反应模拟检测到体液和细胞反应,包括b细胞、t细胞和nk细胞计数的升高。补充信息:在线版本包含补充资料,提供地址:10.1007/s40203-021-00095-w。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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In silico design of a multi-epitope peptide construct as a potential vaccine candidate for Influenza A based on neuraminidase protein.

Designing an effective vaccine against different subtypes of Influenza A virus is a critical issue in the field of medical biotechnology. At the current study, a novel potential multi-epitope vaccine candidate based on the neuraminidase proteins for seven subtypes of Influenza virus was designed, using the in silico approach. Potential linear B-cell and T-cell binding epitopes from each neuraminidase protein (N1, N2, N3, N4, N6, N7, N8) were predicted by in silico tools of epitope prediction. The selected epitopes were joined by three different linkers, and physicochemical properties, toxicity, and allergenecity were investigated. The final multi-epitope construct was modeled using GalaxyWEB server, and the molecular interactions with immune receptors were investigated and the immune response simulation assay was performed. A multi-epitope construct with GPGPGPG linker with the lowest allergenicity and highest stability was selected. The molecular docking assay indicated the interactions with immune system receptors, including HLA1, HLA2, and TLR-3. Immune response simulation detected both humoral and cellular response, including the elevated count of B-cells, T-cell, and Nk-cells.

Supplementary information: The online version contains supplementary material available at 10.1007/s40203-021-00095-w.

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