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Immunoinformatics-guided design of an epitope-based vaccine against severe acute respiratory syndrome coronavirus 2 spike glycoprotein.
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.
  • 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@gm
  • 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.
Comput Biol Med ; 124: 103967, 2020 09.
Article in English | MEDLINE | ID: covidwho-709480
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*1501 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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Full text: Available Collection: International databases Database: MEDLINE Main subject: Pneumonia, Viral / Viral Vaccines / Coronavirus Infections / Pandemics / Spike Glycoprotein, Coronavirus / Betacoronavirus Type of study: Observational study / Prognostic study Topics: Vaccines Limits: Humans Language: English Journal: Comput Biol Med Year: 2020 Document Type: Article Affiliation country: J.compbiomed.2020.103967

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Full text: Available Collection: International databases Database: MEDLINE Main subject: Pneumonia, Viral / Viral Vaccines / Coronavirus Infections / Pandemics / Spike Glycoprotein, Coronavirus / Betacoronavirus Type of study: Observational study / Prognostic study Topics: Vaccines Limits: Humans Language: English Journal: Comput Biol Med Year: 2020 Document Type: Article Affiliation country: J.compbiomed.2020.103967