Extensive immunoinformatics study for the prediction of novel peptide-based epitope vaccine with docking confirmation against envelope protein of Chikungunya virus: a computational biology approach
| Autor: | Syed Shahariar Bappy, Juthi Adhikari, K. M. Kaderi Kibria, Sorna Sultana, Abu Zaffar Shibly, Md. Masuder Rahman, Shafi Mahmud, Md. Arif Khan |
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| Rok vydání: | 2020 |
| Předmět: |
viruses
030303 biophysics Epitopes T-Lymphocyte Peptide Computational biology Biology Chikungunya fever medicine.disease_cause Epitope Virus 03 medical and health sciences Structural Biology parasitic diseases medicine Chikungunya Molecular Biology chemistry.chemical_classification 0303 health sciences Epitope vaccine virus diseases Computational Biology General Medicine High fever Molecular Docking Simulation chemistry Docking (molecular) Vaccines Subunit Chikungunya virus |
| Zdroj: | Journal of biomolecular structuredynamics. 39(4) |
| ISSN: | 1538-0254 |
| Popis: | Chikungunya virus (CHIKV) instigating Chikungunya fever is a global infective menace resulting in high fever, weakened joint-muscle pain, and brain inflammation. Inaccessibility and unavailability of effective drugs have led us to an uncertain arena when it comes to providing proper medical treatment to the affected people. In this study, authentic encroachment has been made concerning the peptide-based epitope vaccine designing against CHIKV. A Proteome-wide search was performed to locate a conserved portion among the accessible viral outer membrane proteins which showcase a remarkable immune response using specific immunoinformatics and docking simulation tools. Primarily, the most probable immunogenic envelope glycoproteins E1 and E2 were identified from the UniProt database depending on their antigenicity scores. Subsequently, we selected two distinctive sequences "SEDVYANTQLVLQRP" and "IMLLYPDHPTLLSYR" in both E1 and E2 glycoproteins respectively. These two sequences identified as the most potent T and B cell epitope-based peptides as they interacted with 6 and 7 HLA-I and 5 HLA-II molecules with an extremely low IC50 score that was verified by molecular docking. Moreover, the sequences possess no allergenicity and are certainly located outside the transmembrane region. In addition, the sequences exhibited 88.46% and 100.00% Conservancy, covering high population coverage of 89.49% to 94.74% and 60.51% to 88.87% respectively in endemic countries. The identified peptide SEDVYANTQLVLQRP and IMLLYPDHPTLLSYR can be utilized next for the development of peptide-based epitope vaccine contrary to CHIKV, so further documentations and experimentations like Antigen testing, Antigen production, Clinical trials are needed to prove the validity of it. Communicated by Ramaswamy H. Sarma. |
| Databáze: | OpenAIRE |
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