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免疫信息学和分子对接研究揭示了针对 DENV-NS3 蛋白的基于表位的潜在肽疫苗。

Immunoinformatics and molecular docking studies reveal potential epitope-based peptide vaccine against DENV-NS3 protein.

机构信息

Department of Biosciences, COMSATS University Islamabad, Sahiwal Campus, Pakistan; Beijing Key Laboratory of Separation and Analysis in Biomedical and Pharmaceuticals, Department of Biomedical Engineering, School of Life Sciences, Beijing Institute of Technology, China.

State Key Laboratory of Membrane Biology, Institute of Zoology, Chinese Academy of Sciences, Beijing, China.

出版信息

J Theor Biol. 2018 Dec 14;459:162-170. doi: 10.1016/j.jtbi.2018.10.005. Epub 2018 Oct 3.

DOI:10.1016/j.jtbi.2018.10.005
PMID:30291844
Abstract

Dengue, still a "Neglected Tropical Disease" is somehow injustice and remains uncontrolled globally. World Health Organization (2012-2020) reported that the world's half population is living in dengue-affected regions. Therefore, effective drug candidates or promising vaccines are urgently needed to control the dengue. It is an acute febrile disease caused by mosquito borne dengue viruses (DENVs) which belong to the genus Flavivirus with four serotypes. In present work, immunoinformatics approach was utilized to predict the antigenic epitopes of dengue proteins for the development of DENV vaccine. B-cell and cytotoxic T-lymphocyte epitopes were predicted for NS3 dengue protein. Docking complexes of 17 antigenic B-cell epitopes of various lengths and 4 CTL epitopes with antigenic sites were investigated followed by binding interaction analyses of top predicted peptides with MHC-I HLA-A2 molecule. These predicted epitopes with antigenic amino acids might present a preliminary set of peptides for future vaccine development against DENV.

摘要

登革热仍然是一种“被忽视的热带病”,在某种程度上是不公正的,在全球范围内仍未得到控制。世界卫生组织(2012-2020 年)报告称,世界上有一半人口生活在登革热流行地区。因此,迫切需要有效的候选药物或有前途的疫苗来控制登革热。它是一种由蚊子传播的登革热病毒(DENV)引起的急性发热性疾病,属于黄病毒属,有四个血清型。在本工作中,利用免疫信息学方法预测登革热蛋白的抗原表位,以开发 DENV 疫苗。预测了 NS3 登革热蛋白的 B 细胞和细胞毒性 T 淋巴细胞表位。研究了长度不同的 17 个抗原 B 细胞表位和 4 个 CTL 表位与抗原位点的对接复合物,然后对与 MHC-I HLA-A2 分子结合的最佳预测肽进行了结合相互作用分析。这些具有抗原性氨基酸的预测表位可能为未来针对 DENV 的疫苗开发提供一组初步的肽。

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