Mamudu, COIheagwam, FNOkafor, EODokunmu, TMOgunlana, OO2024-11-302024-11-302024-09Mamudu CO, Iheagwam FN, Okafor EO, Dokunmu TM, Ogunlana OO. Contriving a novel multi-epitope subunit vaccine from Plasmodium falciparum vaccine candidates against malaria. Journal of Applied Pharmaceutical Science. 2024 Sept; 14(9): 156-1682231-3354https://imsear.searo.who.int/handle/123456789/237694In this study, immunoinformatics strategies were used to design a subunit vaccine against malaria from immunogenic regions of three Plasmodium falciparum surface antigens; liver stage antigen 3-C (V750-K1433), merozoite surface antigen 180 truncate-4 (A805-P1093), and merozoite surface protein 10 region 1 (D29-N188). A multi-epitope subunit vaccine construct (VC) was designed from immunodominant B- and T-cell epitopes followed by structure prediction, evaluation, and validation. Toll-like receptors (TLRs) 2 and 4 were docked with the VC. Their complexes’ molecular dynamics, immune stimulation, codon optimization, and in silico cloning of the VC were simulated. The VC is a 49.2 kDa antigenic and nonallergenic protein, comprised of 26% ?-helix, 7% ?-strand, 66% coil. The immune simulation test showed that the vaccine could provoke adaptive immune responses, and molecular docking tests showed that it interacts strongly with TLR-2 (?945.1 kcal/mol) and TLR-4 (?919.8 kcal/mol) to form complexes of high stability that hardly deform. The guanine-cytosine content and codon adaptation index of the VC were 42.94 and 0.99 after codon optimization. Escherichia coli pET-28a(+) was identified as the best vector for optimal gene expression. In conclusion, the study reveals that the VC shows promising results in neutralizing falciparum malaria.EpitopesimmunoinformaticsmalariaPlasmodium falciparumvaccine construct.Journal ArticleIndiaDepartment of Biochemistry, Covenant University, Ota, Nigeria; Covenant Applied Informatics and Communication Africa Centre of Excellence, Ota, NigeriaDepartment of Biochemistry, Covenant University, Ota, Nigeria; Covenant University Public Health and Wellbeing Research Cluster, Ota, NigeriaDepartment of Biochemistry, Covenant University, Ota, Nigeria; Covenant University Bioinformatics Research, Ota, NigeriaDepartment of Biochemistry, Covenant University, Ota, Nigeria; Covenant Applied Informatics and Communication Africa Centre of Excellence, Ota, NigeriaDepartment of Biochemistry, Covenant University, Ota, Nigeria; Covenant Applied Informatics and Communication Africa Centre of Excellence, Ota, Nigeria