一种强大的综合免疫信息学方法用于设计一种潜在的基于多表位的猴痘病毒疫苗

IF 2.3 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY
Khalid Hasan Raj, Emam Hossain, Hasnat Zahin, Abdullah Al Noman, Abdullah Al Saba, Mohammad Sayem, Tahirah Yasmin, A.H.M. Nurun Nabi
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引用次数: 0

摘要

猴痘是由猴痘病毒(MPXV)引起的一种病毒性疾病,自2024年以来一直是国际关注的突发公共卫生事件。缺乏任何mpox特异性治疗或疫苗,以及Clade Ib等新变种的出现,强调了迫切需要开发靶向疫苗。为了应对这一挑战,本研究采用反向疫苗学和免疫信息学方法设计了一种针对MPXV的多表位疫苗。该疫苗结构包括4个线性B淋巴细胞(LBL)、9个细胞毒性T淋巴细胞(CTL)和7个辅助T淋巴细胞(HTL)表位。从该病毒的6个膜糖蛋白中选择LBL表位,从实验验证的类似正痘病毒的保守表位中选择t细胞表位。这些表位与适当的连接物和佐剂结合,以增强结构的灵活性、免疫原性和效力。经过严格的评估,考虑到物理化学性质,结构完整性,人口覆盖率和免疫系统反应通过模拟。对疫苗的3D结构进行了预测和优化,对接分析显示与人类toll样受体2和4 (TLR-2和TLR-4)有很强的相互作用,这得到了高度负的HADDOCK评分和低RMSD值的支持。分子动力学(MD)模拟证实了该疫苗结构的稳定性及其与TLR-2和TLR-4的稳定相互作用。此外,免疫模拟结果显示,在一次应答期间,接种疫苗显著提高了IgM水平,而在二次和三次应答中,IgG亚型以及IgM和IgG的组合水平几乎翻了一番。在大肠杆菌(E. coli)中的表达进一步证实了其生产潜力。总的来说,本研究提出了一种高免疫原性和有希望的MPXV候选疫苗,需要实验验证以用于临床应用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

A robust comprehensive immunoinformatics approach for designing a potential multi-epitope based vaccine against a reiterated monkeypox virus

A robust comprehensive immunoinformatics approach for designing a potential multi-epitope based vaccine against a reiterated monkeypox virus
Mpox, a viral disease, caused by the monkeypox virus (MPXV) has been a public health emergency of international concern since 2024. The absence of any mpox-specific treatment or vaccine, along with the emergence of new variants like Clade Ib, underscores the urgent need for targeted vaccine development. To address the challenge, this study employed reverse vaccinology and immunoinformatics approaches to design a multi-epitope vaccine against MPXV. The vaccine construct includes four Linear B lymphocyte (LBL), nine Cytotoxic T lymphocyte (CTL), and seven Helper T lymphocyte (HTL) epitopes. LBL epitopes were selected from six membrane glycoproteins of the virus and the T-cell epitopes were selected from the experimentally validated conserved epitopes of the similar orthopoxviruses. These epitopes were combined with appropriate linkers and adjuvants to enhance structural flexibility, immunogenicity, and potency. The engineered vaccine underwent rigorous evaluation, considering physicochemical properties, structural integrity, population coverage, and immune system response through simulation. The 3D structure of the vaccine was predicted, optimized, and docking analysis revealed robust interactions with the human Toll-like receptor 2 and 4 (TLR-2 and TLR-4), supported by highly negative HADDOCK scores and low RMSD values. The stability of the vaccine construct and its stable interaction with TLR-2 and TLR-4 were confirmed by molecular dynamics (MD) simulation. Additionally, the immune simulation results showed that the vaccination significantly increased IgM levels during the primary response, while IgG subtypes as well as combined IgM and IgG levels nearly doubled in the secondary and tertiary responses. In silico expression in Escherichia coli (E. coli) further confirmed its potential for production. Overall, this study presents a highly immunogenic and promising vaccine candidate against MPXV that demands experimental validation for clinical application.
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来源期刊
Biochemistry and Biophysics Reports
Biochemistry and Biophysics Reports Biochemistry, Genetics and Molecular Biology-Biophysics
CiteScore
4.60
自引率
0.00%
发文量
191
审稿时长
59 days
期刊介绍: Open access, online only, peer-reviewed international journal in the Life Sciences, established in 2014 Biochemistry and Biophysics Reports (BB Reports) publishes original research in all aspects of Biochemistry, Biophysics and related areas like Molecular and Cell Biology. BB Reports welcomes solid though more preliminary, descriptive and small scale results if they have the potential to stimulate and/or contribute to future research, leading to new insights or hypothesis. Primary criteria for acceptance is that the work is original, scientifically and technically sound and provides valuable knowledge to life sciences research. We strongly believe all results deserve to be published and documented for the advancement of science. BB Reports specifically appreciates receiving reports on: Negative results, Replication studies, Reanalysis of previous datasets.
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