Computer Based Prediction and Application of Novel Coronavirus E
摘要
TITLE “Computer Based Prediction and Application of Novel Coronavirus Epitopes”. The novel coronavirus is a highly contagious and deadly virus that causes COVID-19, which has become a global public health emergency[1]. In the prevention and treatment of COVID-19, T cells play an important role in controlling viral infections. CD8+ T cells recognize virus antigen epitopes through their T cell receptors, and human leukocyte antigen (HLA) molecules are also crucial in the pathway of presenting virus antigens[2]. With the continuous mutation of the virus strains, peptide vaccines can be rapidly customized to target specific mutant strains. In this study, eight proteins from the Omicron BA.2* variant were selected, and candidate high-affinity peptide-HLA-TCR complexes were reasonably predicted through harmfulness evaluation of mutations, epitope prediction screening, and molecular dynamics simulation. The results showed that the epitope peptides TQLSTDIGV and IGVEHVTFF derived from ORF3a protein exhibited good binding affinity and could serve as important protein targets for SARS-CoV-2 vaccine design, monoclonal antibody development, and antibody test kit research, with important research value. These findings provide important reference for the design of peptide vaccines against the novel coronavirus.