Bioinformatics, Computational Informatics, and Modeling Approaches to the Design of mRNA COVID-19 Vaccine Candidates

This article is devoted to applying bioinformatics and immunoinformatics approaches for the development of a multi-epitope mRNA vaccine against spike glycoproteins circulating SARS-CoV-2 variants in selected African countries. The study’s relevance dictated by fact that severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) began its global threat at end 2019 since then has had devastating impact on whole world. Measures reduce threats from pandemic include social restrictions, restrictions international travel, development. In most cases, depends glycoprotein, which serves as medium entry into host cells. Although several have emerged mutations crossing continental boundaries, about 6000 delta been reported along coast more than 20 countries Africa, with South Africa accounting highest percentage. also applies omicron variant virus Africa. authors suggest be used develop Various tools predict T- B-lymphocyte epitopes. epitopes were further subjected multiple evaluations select could elicit sustained immunological response. candidate consisted seven epitopes, highly immunogenic adjuvant, an MHC I-targeting domain (MITD), signal peptide, linkers. molecular weight (MW) was predicted 223.1 kDa, well above acceptable threshold 110 kDa excellent candidate. addition, results showed antigenic, non-allergenic, non-toxic, thermostable, hydrophilic. good population coverage, range East (80.44%) followed (77.23%). West North 76.65% 76.13%, respectively, while Central (75.64%) minimal coverage. Among no observed 100 randomly study area. Evaluation secondary structure constructs revealed stabilized showing 36.44% alpha-helices, 20.45% drawn filaments, 33.38% random helices. Molecular docking TLR4 simulated high binding affinity TLR-4, reflecting ability stimulate innate adaptive immune