Immunoinformatics and molecular dynamics approaches: Next generation vaccine design against West Nile virus

被引:34
作者
Khan, Md Tahsin [1 ]
Islam, Rahatul [1 ]
Jerin, Tarhima Jahan [2 ]
Mahmud, Araf [1 ]
Khatun, Sahara [1 ]
Kobir, Ahasanul [3 ]
Islam, Md Nahidul [4 ]
Akter, Arzuba [5 ]
Mondal, Shakhinur Islam [1 ]
机构
[1] Shahjalal Univ Sci & Technol, Dept Genet Engn & Biotechnol, Sylhet, Bangladesh
[2] Mawlana Bhashani Sci & Technol Univ, Dept Biotechnol & Genet Engn, Tangail, Bangladesh
[3] Univ Pittsburgh, UPMC Hillman Canc Ctr, Pittsburgh, PA USA
[4] Natl Univ Ireland Galway, Sch Nat Sci, Dept Biochem, Galway, Ireland
[5] Shahjalal Univ Sci & Technol, Dept Biochem & Mol Biol, Sylhet, Bangladesh
关键词
T-CELL-EPITOPES; NEUTRALIZING ANTIBODY; MONOCLONAL-ANTIBODY; CHIMERIC VACCINE; IMMUNE-RESPONSE; PEPTIDE VACCINE; NEURAL-NETWORKS; PROTEIN; PREDICTION; ENCEPHALITIS;
D O I
10.1371/journal.pone.0253393
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
West Nile Virus (WNV) is a life threatening flavivirus that causes significant morbidity and mortality worldwide. No preventive therapeutics including vaccines against WNV are available for human use. In this study, immunoinformatics approach was performed to design a multi epitope-based subunit vaccine against this deadly pathogen. Human (HLA) and Mice (H-2) allele specific potential T-cell and B-cell epitopes were shortlisted through a stringent procedure. Molecular docking showed selected epitopes that have stronger binding affinity with human TLR-4. Molecular dynamics simulation confirmed the stable nature of the docked complex. Furthermore, in silico cloning analysis ensures efficient expression of desired gene in the microbial system. Interestingly, previous studies showed that two of our selected epitopes have strong immune response against WNV. Therefore, selected epitopes could be strong vaccine candidates to prevent WNV infections in human. However, further in vitro and in vivo investigations could be strengthening the validation of the vaccine candidate against WNV.
引用
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页数:27
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