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利用免疫信息学方法设计多表位猴痘病毒特异性疫苗。

Designing multi-epitope monkeypox virus-specific vaccine using immunoinformatics approach.

机构信息

Department of Basic and Applied Chemistry, Faculty of Science and Technology, University of Central Punjab, Lahore 54590, Pakistan.

Department of Basic and Applied Chemistry, Faculty of Science and Technology, University of Central Punjab, Lahore 54590, Pakistan.

出版信息

J Infect Public Health. 2023 Jan;16(1):107-116. doi: 10.1016/j.jiph.2022.11.033. Epub 2022 Dec 6.

Abstract

BACKGROUND

Monkeypox virus is an enveloped DNA virus that belongs to Poxviridae family. The virus is transmitted from rodents to primates via infected body fluids, skin lesions, and respiratory droplets. After being infected with virus, the patients experience fever, myalgia, maculopapular rash, and fluid-filled blisters. It is necessary to differentiate monkeypox virus from other poxviruses during diagnosis which can be appropriately envisioned via DNA analysis from swab samples. During small outbreaks, the virus is treated with therapies administered in other orthopoxviruses infections and does not have its own specific therapy and vaccine. Consequently, in this article, two potential peptides have been designed.

METHODS

For the purpose of designing a vaccine, protein sequences were retrieved followed by the prediction of B- and T-cell epitopes. Afterward, vaccine structures were predicted which were docked with toll-like receptors. The docked complexes were analyzed with iMODS. Moreover, vaccine constructs nucleotide sequences were optimized and expressed in silico.

RESULTS

COP-B7R vaccine construct (V1) has antigenicity score of 0.5400, instability index of 29.33, z-score of - 2.11-, and 42.11% GC content whereas COP-A44L vaccine construct (V2) has an antigenicity score of 0.7784, instability index of 23.33, z-score of - 0.61, and 48.63% GC content. It was also observed that COP-A44L can be expressed as a soluble protein in Escherichia coli as compared to COP-B7R which requires a different expression system.

CONCLUSION

The obtained results revealed that both vaccine constructs show satisfactory outcomes after in silico investigation and have significant potential to prevent the monkeypox virus. However, COP-A44L gave better results.

摘要

背景

猴痘病毒是一种包膜 DNA 病毒,属于痘病毒科。该病毒通过感染的体液、皮肤损伤和呼吸道飞沫从啮齿动物传播到灵长类动物。感染病毒后,患者会出现发热、肌痛、斑丘疹和充满液体的水疱。在诊断过程中,有必要将猴痘病毒与其他痘病毒区分开来,这可以通过从拭子样本中进行 DNA 分析来适当想象。在小范围爆发期间,该病毒用其他正痘病毒感染中使用的疗法进行治疗,并且没有自己的特定疗法和疫苗。因此,在本文中,设计了两种潜在的肽。

方法

为了设计疫苗,检索了蛋白质序列,然后预测了 B 细胞和 T 细胞表位。之后,预测了疫苗结构,并与 Toll 样受体对接。对接复合物用 iMODS 进行分析。此外,还对疫苗构建体的核苷酸序列进行了优化和计算机模拟表达。

结果

COP-B7R 疫苗构建体(V1)的抗原性评分 0.5400,不稳定性指数 29.33,z 分数为-2.11,GC 含量为 42.11%,而 COP-A44L 疫苗构建体(V2)的抗原性评分 0.7784,不稳定性指数 23.33,z 分数为-0.61,GC 含量为 48.63%。还观察到,与需要不同表达系统的 COP-B7R 相比,COP-A44L 可以在大肠杆菌中作为可溶性蛋白表达。

结论

通过计算机模拟研究,发现这两种疫苗构建体都有令人满意的结果,具有预防猴痘病毒的显著潜力。然而,COP-A44L 的效果更好。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90d8/9724569/92bb06be888d/ga1_lrg.jpg

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