Development of Subunit Vaccine against African Swine Fever Virus Based on CD2v Protein Using Immunoinformatics and Molecular Dynamics Methods

IF 0.5 4区 材料科学 Q4 CRYSTALLOGRAPHY Crystallography Reports Pub Date : 2025-02-16 DOI:10.1134/S1063774524601953
A. S. Ivanovsky, V. I. Timofeev, A. V. Kalach, Y. V. Kordonskaya, M. A. Marchenkova, Y. V. Pisarevsky, Y. A. Dyakova, M. V. Kovalchuk
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Abstract

A subunit vaccine against African swine fever virus (ASFV) was computationally designed using immunoinformatics and molecular dynamics methods. The three–dimensional structure of the selected immunogenic CD2v protein of ASFV was modeled and its topology relative to the membrane was predicted. The B- and T-cell epitopes for the outer-membrane part of CD2v were predicted and their immunogenicity, allergenicity, and toxicity were evaluated. For the development of a subunit vaccine, the least variable site was identified based on the analysis of the conservancy of the predicted epitopes. For the selected outer-membrane region, its stability in an aqueous salt solution was evaluated by molecular dynamics methods, which demonstrated its structural stability. The immunomodulation study showed that the developed vaccine candidate can cause a persistent immune response and does not induce a cytokine storm.

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基于CD2v蛋白的非洲猪瘟亚单位疫苗的免疫信息学和分子动力学研究
采用免疫信息学和分子动力学方法对非洲猪瘟病毒亚单位疫苗进行了计算设计。对选定的ASFV免疫原性CD2v蛋白的三维结构进行建模,并对其相对于膜的拓扑结构进行预测。预测CD2v外膜部分的B细胞和t细胞表位,并评估其免疫原性、过敏原性和毒性。为了开发亚单位疫苗,通过对预测表位的保护分析,确定了最小变异位点。对所选择的外膜区,用分子动力学方法评价了其在盐水溶液中的稳定性,证明了其结构的稳定性。免疫调节研究表明,开发的候选疫苗可以引起持续的免疫反应,而不会诱导细胞因子风暴。
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来源期刊
Crystallography Reports
Crystallography Reports 化学-晶体学
CiteScore
1.10
自引率
28.60%
发文量
96
审稿时长
4-8 weeks
期刊介绍: Crystallography Reports is a journal that publishes original articles short communications, and reviews on various aspects of crystallography: diffraction and scattering of X-rays, electrons, and neutrons, determination of crystal structure of inorganic and organic substances, including proteins and other biological substances; UV-VIS and IR spectroscopy; growth, imperfect structure and physical properties of crystals; thin films, liquid crystals, nanomaterials, partially disordered systems, and the methods of studies.
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