Immunoinformatics-guided design of an epitope-based vaccine against severe acute respiratory syndrome coronavirus 2 spike glycoprotein.


Journal

Computers in biology and medicine
ISSN: 1879-0534
Titre abrégé: Comput Biol Med
Pays: United States
ID NLM: 1250250

Informations de publication

Date de publication:
09 2020
Historique:
received: 28 05 2020
revised: 08 08 2020
accepted: 08 08 2020
pubmed: 23 8 2020
medline: 25 9 2020
entrez: 23 8 2020
Statut: ppublish

Résumé

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. 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. 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 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.

Identifiants

pubmed: 32828069
pii: S0010-4825(20)30300-0
doi: 10.1016/j.compbiomed.2020.103967
pmc: PMC7423576
pii:
doi:

Substances chimiques

Antigens, Viral 0
COVID-19 Vaccines 0
Epitopes, B-Lymphocyte 0
Epitopes, T-Lymphocyte 0
HLA-B15 Antigen 0
HLA-DRB1 Chains 0
Spike Glycoprotein, Coronavirus 0
Viral Vaccines 0
spike protein, SARS-CoV-2 0

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

103967

Informations de copyright

Copyright © 2020 Elsevier Ltd. All rights reserved.

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Auteurs

Ahmed Rakib (A)

Department of Pharmacy, Faculty of Biological Sciences, University of Chittagong, Chittagong, 4331, Bangladesh.

Saad Ahmed Sami (SA)

Department of Pharmacy, Faculty of Biological Sciences, University of Chittagong, Chittagong, 4331, Bangladesh.

Nusrat Jahan Mimi (NJ)

Department of Pharmacy, Faculty of Biological Sciences, University of Chittagong, Chittagong, 4331, Bangladesh.

Md Mustafiz Chowdhury (MM)

Department of Pharmacy, Faculty of Biological Sciences, University of Chittagong, Chittagong, 4331, Bangladesh.

Taslima Akter Eva (TA)

Department of Pharmacy, Faculty of Biological Sciences, University of Chittagong, Chittagong, 4331, Bangladesh.

Firzan Nainu (F)

Faculty of Pharmacy, Hasanuddin University, Tamalanrea, Kota Makassar, Sulawesi Selatan, 90245, Indonesia.

Arkajyoti Paul (A)

Drug Discovery, GUSTO A Research Group, Chittagong, 4203, Bangladesh; Department of Pharmacy, BGC Trust University Bangladesh, Chittagong, 4381, Bangladesh.

Asif Shahriar (A)

Department of Microbiology, Stamford University Bangladesh, 51 Siddeswari Road, Dhaka, 1217, Bangladesh.

Abu Montakim Tareq (AM)

Department of Pharmacy, International Islamic University Chittagong, Chittagong, 4318, Bangladesh.

Nazim Uddin Emon (NU)

Department of Pharmacy, International Islamic University Chittagong, Chittagong, 4318, Bangladesh.

Sajal Chakraborty (S)

Department of Pharmacy, BGC Trust University Bangladesh, Chittagong, 4381, Bangladesh.

Sagar Shil (S)

Department of Pharmacy, BGC Trust University Bangladesh, Chittagong, 4381, Bangladesh.

Sabrina Jahan Mily (SJ)

Department of Gynaecology and Obstetrics, Banshkhali Upazila Health Complex, Jaldi Union, Chittagong, 4390, Bangladesh.

Taibi 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.

Faisal A Almalki (FA)

Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah Almukkarramah, 21955, Saudi Arabia.

Talha Bin Emran (TB)

Department of Pharmacy, BGC Trust University Bangladesh, Chittagong, 4381, Bangladesh. Electronic address: talhabmb@bgctub.ac.bd.

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Classifications MeSH