Department of Genomics and Bioinformatics, Faculty of Biotechnology and Genetic Engineering, Chattogram Veterinary and Animal Sciences University (CVASU), Khulshi, 4225, Chattogram, Bangladesh.
Department of Microbiology, Noakhali Science and Technology University, Noakhali, 3814, Bangladesh.
Microb Pathog. 2024 Dec;197:107098. doi: 10.1016/j.micpath.2024.107098. Epub 2024 Nov 8.
Nipah virus (NiV) is a highly lethal zoonotic pathogen that poses a significant threat to human and animal health. Unfortunately, no effective treatments have been developed for this deadly zoonotic disease. Therefore, we designed a chimeric multiepitope vaccine targeting the Nipah virus (NiV) glycoprotein and fusion protein through immunoinformatic approaches. Therefore, the vaccine was developed by combining promising and potential antigenic MHC-I, MHC-II, and B-cell epitopes obtained from the selected proteins. When combined, the MHC-I and MHC-II epitopes offered 100 % global population coverage. The physicochemical characterization also exhibited favorable properties, including solubility and potential functional stability of the vaccine within the body (GRAVY score of -0.308). Structural analyses unveiled a well-stabilized secondary and tertiary structure with a Ramachandran score of 84.4 % and a Z score of -5.02. Findings from docking experiments with TLR-2 (-1089.3 kJ/mol) and TLR-4 (-1016.7 kJ/mol) showed a strong affinity of the vaccine towards the receptor. Molecular dynamics simulations revealed unique conformational dynamics among the "vaccine-apo," "vaccine-TLR-2," and "vaccine-TLR-4″ complexes. Consequently, the complexes exhibited significant compactness, flexibility, and exposure to solvents. The results of the codon optimization were remarkable, as the vaccine showed a significant amount of expression in the E. coli vector (GC content of 45.36 % and a CAI score of 1.0). The results of immune simulations, however, showed evidence of both adaptive and innate immune responses induced by the vaccine. Therefore, we highly recommend further research on this chimeric multiepitope vaccine to establish its efficacy and safety against the Nipah virus (NiV).
尼帕病毒（NiV）是一种高致死性的人畜共患病病原体，对人类和动物健康构成重大威胁。不幸的是，目前还没有针对这种致命人畜共患病的有效治疗方法。因此，我们通过免疫信息学方法设计了一种针对尼帕病毒（NiV）糖蛋白和融合蛋白的嵌合多表位疫苗。该疫苗是通过结合从选定蛋白中获得的有前途和潜在的抗原性 MHC-I、MHC-II 和 B 细胞表位而开发的。当结合使用时，MHC-I 和 MHC-II 表位提供了 100%的全球人口覆盖率。物理化学特性分析也表现出良好的特性，包括疫苗在体内的溶解度和潜在功能稳定性（GRAVY 评分-0.308）。结构分析揭示了一个稳定的二级和三级结构，Ramachandran 评分达到 84.4%，Z 评分达到-5.02。与 TLR-2（-1089.3 kJ/mol）和 TLR-4（-1016.7 kJ/mol）进行对接实验的结果表明，疫苗对受体具有很强的亲和力。与 TLR-2（-1089.3 kJ/mol）和 TLR-4（-1016.7 kJ/mol）进行对接实验的结果表明，疫苗对受体具有很强的亲和力。分子动力学模拟显示，“疫苗-apo”、“疫苗-TLR-2”和“疫苗-TLR-4”复合物之间存在独特的构象动力学。因此，这些复合物表现出显著的紧凑性、灵活性和对溶剂的暴露。密码子优化的结果非常显著，因为疫苗在大肠杆菌载体中表现出大量表达（GC 含量为 45.36%，CAI 评分为 1.0）。然而，免疫模拟的结果表明，疫苗能够诱导适应性和先天免疫反应。因此，我们强烈建议对这种嵌合多表位疫苗进行进一步研究，以确定其针对尼帕病毒（NiV）的疗效和安全性。
