Immunoinformatics and molecular dynamics approaches: Next generation vaccine design against West Nile virus.
Md Tahsin KhanRahatul IslamTarhima Jahan JerinAraf MahmudSahara KhatunAhasanul KobirMd Nahidul IslamArzuba AkterShakhinur Islam MondalPublished in: PloS one (2021)
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.
Keyphrases
- molecular docking
- endothelial cells
- molecular dynamics simulations
- molecular dynamics
- immune response
- toll like receptor
- small molecule
- gene expression
- inflammatory response
- risk assessment
- dna methylation
- dendritic cells
- mass spectrometry
- climate change
- metabolic syndrome
- binding protein
- insulin resistance
- long non coding rna
- candida albicans
- human health
- monoclonal antibody