Design of a multi-epitope vaccine against SARS-CoV-2: immunoinformatic and computational methods
Md. Oliullah Rafi, Khattab Al-Khafaji, Md. Takim Sarker, Tuğba Taşkın‐Tok, Abdus Samad Rana, Md. Shahedur Rahman
Abstract
identifying the key residues (named HUB nodes) that control interaction stability and provide a clear molecular mechanism. The obtained results from molecular docking and MD simulation revealed a strong and stable interaction between vaccine and TLRs. The vaccine's ability to stimulate the immune response was assessed by using computational immune simulation. This predicted a significant level of cytotoxic T cell and helper T cell activation, as well as IgG, interleukin 2, and interferon-gamma production. This study shows that the designed vaccine is structurally and dynamically stable and can trigger an effective immune response against viral infections.