In-silico designing of epitope-based vaccine against the seven banded grouper nervous necrosis virus affecting fish species.
In-silico designing of epitope-based vaccine against the seven banded grouper nervous necrosis virus affecting fish species.
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DOI：
10.1007/s13721-021-00315-5
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发表时间：
2021
影响因子：
2.3
通讯作者：
Kaushik V
中科院分区：
文献类型：
--
作者：
Joshi A;Pathak DC;Mannan MA;Kaushik V
神经坏死病毒（NNV）是野大卫病毒科（Nodaviridae）的一种病毒性疾病，可感染多种鱼类，引起病毒性脑病和视网膜病变，导致大量鱼类死亡，死亡率高达100%。目前没有有效的治疗方法，人口减少只是建议的建议。需要新的途径和方法来控制这一有害疾病。在这项研究中，我们开发了一种基于表位的疫苗（EBV），针对NNV的计算方法。我们选择了两个保守的蛋白质RNA依赖的RNA聚合酶（RdRP）和衣壳蛋白。基于超过1000个表位，我们选择了六个抗原表位。将这些缀合至佐剂和接头肽以产生全长疫苗候选物。Phyre2服务器分析生化结构特性。ProtParam，Molprobity. Ramachandran作图结果表明，98.7%的残基位于有利区，93.4%的残基位于有利区。工程化的EBV与Toll样受体5（TLR5）结合，TLR5是免疫应答的重要激发子。PatchDock服务器的进一步分子对接揭示了EBV和TLR 5受体的最佳对接模型的原子接触能（即-267.08）。分子模拟结果表明，两种分子间存在稳定的相互作用，RMSD和RMSF值分别为1 - 4 μ m和1 - 12 μ m。此外，我们已经提出了最好的可能的密码子优化序列，其克隆和随后的蛋白质纯化。总的来说，这是第一份报告，提出了一种计算机模拟方法，用于产生针对NNV的EBV候选物。我们推测，所提出的方法和途径可以用作治疗NNV的有希望的方法。
Neural necrosis virus (NNV) of family Nodaviridae affect wide range of fish species with viral encephalopathy and retinopathy causing mass mortality up to 100%. Currently there is no effective treatment and depopulation is only suggested recommendation. New avenues and approach are required to control this harmful malady. In this study we developed an epitope-based vaccine (EBV), against NNV using computation approach. We have selected two conserved proteins RNA-dependent RNA polymerase (RdRP) and capsid proteins. Based on more than ~ 1000 epitopes we selected six antigenic epitopes. These were conjugated to adjuvant and linker peptides to generate a full-length vaccine candidate. Biochemical structural properties were analyzed by Phyre2 server. ProtParam, Molprobity. Ramachandran plot results indicate that 98.7% residues are in a favorable region and 93.4% residues in the favored region. The engineered EBV binds to toll like receptor-5 (TLR5) an important elicitor of immune response. Further molecular docking by PatchDock server reveals the atomic contact energy (i.e. − 267.08) for the best docked model of EBV and TLR5 receptor. The molecular simulation results suggest a stable interaction; the RMSD and RMSF values are 1–4 Ǻ and 1–12Ǻ, respectively. Further we have suggested the best possible codon optimized sequence for its cloning and subsequent purification of the protein. Overall, this is a first report to suggest an in-silico method for generation of an EBV candidate against NNV. We surmise that the method and approach suggested could be used as a promising cure for NNVs.
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影响因子：
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