Immunoinformatics-guided design of an epitope-based vaccine against severe acute respiratory syndrome coronavirus 2 spike glycoprotein.
Comput Biol Med. 2020 09; 124:103967.CB

Abstract

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.

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Authors+Show Affiliations

Rakib A
Department of Pharmacy, Faculty of Biological Sciences, University of Chittagong, Chittagong, 4331, Bangladesh.
Sami SA
Department of Pharmacy, Faculty of Biological Sciences, University of Chittagong, Chittagong, 4331, Bangladesh.
Mimi NJ
Department of Pharmacy, Faculty of Biological Sciences, University of Chittagong, Chittagong, 4331, Bangladesh.
Chowdhury MM
Department of Pharmacy, Faculty of Biological Sciences, University of Chittagong, Chittagong, 4331, Bangladesh.
Eva TA
Department of Pharmacy, Faculty of Biological Sciences, University of Chittagong, Chittagong, 4331, Bangladesh.
Nainu F
Faculty of Pharmacy, Hasanuddin University, Tamalanrea, Kota Makassar, Sulawesi Selatan, 90245, Indonesia.
Paul A
Drug Discovery, GUSTO A Research Group, Chittagong, 4203, Bangladesh; Department of Pharmacy, BGC Trust University Bangladesh, Chittagong, 4381, Bangladesh.
Shahriar A
Department of Microbiology, Stamford University Bangladesh, 51 Siddeswari Road, Dhaka, 1217, Bangladesh.
Tareq AM
Department of Pharmacy, International Islamic University Chittagong, Chittagong, 4318, Bangladesh.
Emon NU
Department of Pharmacy, International Islamic University Chittagong, Chittagong, 4318, Bangladesh.
Chakraborty S
Department of Pharmacy, BGC Trust University Bangladesh, Chittagong, 4381, Bangladesh.
Shil S
Department of Pharmacy, BGC Trust University Bangladesh, Chittagong, 4381, Bangladesh.
Mily SJ
Department of Gynaecology and Obstetrics, Banshkhali Upazila Health Complex, Jaldi Union, Chittagong, 4390, Bangladesh.
Ben Hadda T
Laboratory of Applied Chemistry & Environment, Faculty of Sciences, University Mohammed the First, BP 524, 60000, Oujda, Morocco; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah Almukkarramah, 21955, Saudi Arabia. Electronic address: taibi.ben.hadda@gmail.com.
Almalki FA
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah Almukkarramah, 21955, Saudi Arabia.
Emran TB
Department of Pharmacy, BGC Trust University Bangladesh, Chittagong, 4381, Bangladesh. Electronic address: talhabmb@bgctub.ac.bd.

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

Pub Type(s)

Journal Article

Language

eng

PubMed ID

32828069