Design of multi-epitope vaccine candidate against SARS-CoV-2: ain-silicostudy
Design of multi-epitope vaccine candidate against SARS-CoV-2: ain-silicostudy
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DOI：
10.1080/07391102.2020.1770127
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发表时间：
2020-05-27
影响因子：
4.4
通讯作者：
Venkateswarulu, T. C.
中科院分区：
文献类型：
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作者：
Abraham Peele, K.;Srihansa, T.;Venkateswarulu, T. C.
寻找有效的SARS-CoV-2疫苗的最佳治疗策略是寻找靶结构蛋白。在本研究中，使用silicotools设计了一种新型多表位疫苗，该疫苗可能触发针对新型冠状病毒的CD 4和CD 8 T细胞免疫应答。候选疫苗是使用B和T细胞表位设计的，这些表位可以作为免疫原并在宿主系统中激发免疫应答。利用NCBI检索新冠状病毒（SARS-CoV-2）表面刺突糖蛋白。VaxiJen服务器筛选所有蛋白质中最重要的免疫原，IEDB服务器提供B和T细胞表位的预测和分析。最终的疫苗构建体是在计算机上设计的，由425个氨基酸组成，包括50 S核糖体蛋白佐剂，并在考虑所有关键参数的情况下，在抗原性、变应原性和稳定性方面对构建体进行计算验证。对疫苗的建模和对接研究结果进行了验证。分子对接研究揭示了疫苗构建体与TLR-3免疫受体之间的蛋白质-蛋白质结合作用。MD模拟证实了结合姿态的稳定性。免疫模拟结果显示免疫细胞有明显的反应。研究结果证实，嵌合肽的最终疫苗构建体能够增强针对nCoV-19的免疫应答。
The best therapeutic strategy to find an effective vaccine against SARS-CoV-2 is to explore the target structural protein. In the present study, a novel multi-epitope vaccine is designed usingin silicotools that potentially trigger both CD4 and CD8 T-cell immune responses against the novel Coronavirus. The vaccine candidate was designed using B and T-cell epitopes that can act as an immunogen and elicits immune response in the host system. NCBI was used for the retrieval of surface spike glycoprotein, of novel corona virus (SARS-CoV-2) strains. VaxiJen server screens the most important immunogen of all the proteins and IEDB server gives the prediction and analysis of B and T cell epitopes. Final vaccine construct was designedin silicocomposed of 425 amino acids including the 50S ribosomal protein adjuvant and the construct was computationally validated in terms of antigenicity, allergenicity and stability on considering all critical parameters into consideration. The results subjected to the modeling and docking studies of vaccine were validated. Molecular docking study revealed the protein-protein binding interactions between the vaccine construct and TLR-3 immune receptor. The MD simulations confirmed stability of the binding pose. The immune simulation results showed significant response for immune cells. The findings of the study confirmed that the final vaccine construct of chimeric peptide could able to enhance the immune response against nCoV-19.