Background: The recent emergence of COVID-19 has caused an immense global public health crisis. The etiological agent of COVID-19 is the novel coronavirus SARS-CoV-2. More research in the field of developing effective vaccines against this emergent viral disease is indeed a need of the hour.
Objective: The aim of this study was to identify effective vaccine candidates that can offer a new milestone in the battle against COVID-19.
Methods: We used a reverse vaccinology approach to explore the SARS-CoV-2 genome among strains prominent in India. Epitopes were predicted and then molecular docking and simulation were used to verify the molecular interaction of the candidate antigenic peptide with corresponding amino acid residues of the host protein.
Results: A promising antigenic peptide, GVYFASTEK, from the surface glycoprotein of SARS-CoV-2 (protein accession number QIA98583.1) was predicted to interact with the human major histocompatibility complex (MHC) class I human leukocyte antigen (HLA)-A*11-01 allele, showing up to 90% conservancy and a high antigenicity value. After vigorous analysis, this peptide was predicted to be a suitable epitope capable of inducing a strong cell-mediated immune response against SARS-CoV-2.
Conclusions: These results could facilitate selecting SARS-CoV-2 epitopes for vaccine production pipelines in the immediate future. This novel research will certainly pave the way for a fast, reliable, and effective platform to provide a timely countermeasure against this dangerous virus responsible for the COVID-19 pandemic.
Keywords: COVID-19; SARS-CoV-2; antigen; biochemistry; genetics; immunology; molecular docking; molecular dynamics simulation; peptide; reverse vaccinology; simulation; vaccine; vaccine candidates; virus.
©Ekta Gupta, Rupesh Kumar Mishra, Ravi Ranjan Kumar Niraj. Originally published in JMIR Bioinformatics and Biotechnology (https://bioinform.jmir.org), 26.04.2022.