Designing Multi‐Epitope Subunit Vaccine Candidate for Zika Virus Utilizing In silico Tools

Fatemeh Shams Moattar, A. Asadzadeh, Maryam Heydari, M. Zamani, Fatemeh Esnaashari, Fatemeh Jeldani
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引用次数: 3

Abstract

Background: The arboviruses Zika virus (ZIKV) is a pathogen that threatens human health. Scientists have warned that a single mutation in the mosquito-borne ZIKV could spark another major outbreak of the disease in humans. Therefore, designing a suitable vaccine for this virus seems necessary. This study aimed to predict the protective epitopes of envelope protein from the Zika virus with bioinformatics methods for multi-epitope vaccine development. Materials and Methods: Computational studies including the identification of potential B-cell and T-cell epitopes were used. For generating a multi-epitopic vaccine construct (MEVC), selected epitopes are connected by suitable linkers. To enhance protein immunogenicity, Maltosebound protein was added to the MEVC after the prediction and refinement of the 3D structure of the designed vaccine. The binding mode of the MEVC with toll-like receptor was investigated by molecular docking technique. Finally, molecular dynamics and in silico cloning were performed for the designed vaccine. Results: This study showed that this recombinant vaccine is nontoxic, nonallergenic, and thermostable and elicits immune responses against the Zika virus. Conclusion: The computational data suggest that the MEVC has appropriate characteristics and a high-quality structure.
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利用计算机工具设计寨卡病毒多表位亚单位候选疫苗
背景:虫媒病毒寨卡病毒(ZIKV)是一种威胁人类健康的病原体。科学家警告说,蚊子传播的寨卡病毒的一个突变可能会引发另一次大规模的人类疾病爆发。因此,为这种病毒设计一种合适的疫苗似乎是必要的。本研究旨在利用生物信息学方法预测寨卡病毒包膜蛋白的保护性表位,用于多表位疫苗的研制。材料和方法:计算研究包括鉴定潜在的b细胞和t细胞表位。为了产生多表位疫苗结构(MEVC),选择的表位通过合适的连接体连接。为了增强蛋白的免疫原性,在对设计的疫苗的三维结构进行预测和细化后,在MEVC中加入麦芽糖结合蛋白。利用分子对接技术研究了MEVC与toll样受体的结合方式。最后,对所设计的疫苗进行了分子动力学和计算机克隆。结果:本研究表明,该重组疫苗无毒、无致敏性和耐热性,可引起针对寨卡病毒的免疫反应。结论:计算数据表明MEVC具有合适的特性和高质量的结构。
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