Computers in biology and medicine · 2020
Immunoinformatics-guided design of an epitope-based vaccine against severe acute respiratory syndrome coronavirus 2 spike glycoprotein.
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Rakib Ahmed, Sami Saad Ahmed, Mimi Nusrat Jahan, Chowdhury Md Mustafiz, Eva Taslima Akter, Nainu Firzan, Paul Arkajyoti, Shahriar Asif, Tareq Abu Montakim, Emon Nazim Uddin, Chakraborty Sajal, Shil Sagar, Mily Sabrina Jahan, Ben Hadda Taibi, Almalki Faisal A, Emran Talha Bin
Аннотация
AIMS: With a large number of fatalities, coronavirus disease-2019 (COVID-19) has greatly affected human health worldwide. Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the virus that causes COVID-19. The World Health Organization has declared a global pandemic of this contagious disease. Researchers across the world are collaborating in a quest for remedies to combat this deadly virus. It has recently been demonstrated that the spike glycoprotein (SGP) of SARS-CoV-2 is the mediator by which the virus enters host cells.
MAIN METHODS: Our group comprehensibly analyzed the SGP of SARS-CoV-2 through multiple sequence analysis and a phylogenetic analysis. We predicted the strongest immunogenic epitopes of the SGP for both B cells and T cells.
KEY FINDINGS: We focused on predicting peptides that would bind major histocompatibility complex class I. Two optimal epitopes were identified, WTAGAAAYY and GAAAYYVGY. They interact with the HLA-B*15:01 allele, which was further validated by molecular docking simulation. This study also found that the selected epitopes are able to be recognized in a large percentage of the world's population. Furthermore, we predicted CD4+ T-cell epitopes and B-cell epitopes.
SIGNIFICANCE: Our study provides a strong basis for designing vaccine candidates against SARS-CoV-2. However, laboratory work is required to validate our theoretical results, which would lay the foundation for the appropriate vaccine manufacturing and testing processes.
MAIN METHODS: Our group comprehensibly analyzed the SGP of SARS-CoV-2 through multiple sequence analysis and a phylogenetic analysis. We predicted the strongest immunogenic epitopes of the SGP for both B cells and T cells.
KEY FINDINGS: We focused on predicting peptides that would bind major histocompatibility complex class I. Two optimal epitopes were identified, WTAGAAAYY and GAAAYYVGY. They interact with the HLA-B*15:01 allele, which was further validated by molecular docking simulation. This study also found that the selected epitopes are able to be recognized in a large percentage of the world's population. Furthermore, we predicted CD4+ T-cell epitopes and B-cell epitopes.
SIGNIFICANCE: Our study provides a strong basis for designing vaccine candidates against SARS-CoV-2. However, laboratory work is required to validate our theoretical results, which would lay the foundation for the appropriate vaccine manufacturing and testing processes.
Предметные рубрики MeSH
Amino Acid SequenceAntigens, ViralBetacoronavirusCOVID-19COVID-19 VaccinesComputational BiologyCoronavirus InfectionsDrug DesignEpitopes, B-LymphocyteEpitopes, T-LymphocyteHLA-B15 AntigenHLA-DRB1 ChainsHumansMolecular Docking SimulationPandemicsPneumonia, ViralSARS-CoV-2Spike Glycoprotein, CoronavirusViral Vaccines