Computational design of a novel multi-epitope vaccine candidate against group A rotavirus.

Rotaviruses A (RVA) are the most common cause of diarrhea-related death in children under the age of five. Because RV vaccines are live attenuated, their use is limited. This work aimed to develop a multi-epitope vaccination against RVA using reverse vaccinology approaches. The viral protein 6 (VP6) was targeted for predicting B-cell and T-cell epitopes, and the best epitopes from its conserved regions were linked by appropriate linkers; additionally, 50 S ribosomal protein L7/L12 was inserted as an adjuvant to the vaccine's N-terminus. The designed vaccine revealed satisfactory antigenicity, allergenicity, toxicity, and physicochemical characteristics. The molecular docking and molecular dynamics (MD) simulation showed strong binding interactions between the vaccine and toll-like receptor 4 (TLR4), signifying improved antigen presentation efficacy. The vaccine immunity simulation showed a significant rise in immunoglobulins and cytokines. Furthermore, the vaccine candidate showed a high likelihood of successful expression in Escherichia coli (E. coli). Our findings suggest that the multi-epitope vaccine candidate exhibits significant potential; however, experimental evaluations are necessary to determine its ability to stimulate the immune system.