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oai:figshare.com:article/33994839 2026-09-25T11:53:28Z category_125 portal_316 item_type_3 month_year_09_2026

Table 1_Reverse vaccinology and immunoinformatics-driven design of a multiepitope vaccine candidate against Renibacterium salmoninarum.docx Cristóbal Morales (5026826) Vicente Arriagada (17102110) Erick Bonilla (25109709) Bruno Prina (25109712) Esteban Godoy (25109715) Benjamín Molina-Chávez (25109718) Alberto Osorio (25109721) Emilio Gutierrez (313747) Victor Roa (25109724) Leonardo A. Gómez (9133337) Ángel A. Oñate (22524539) Bioinformatics bacterial kidney disease immunoinformatics molecular docking molecular dynamics simulation multiepitope vaccine Renibacterium salmoninarum reverse vaccinology salmon aquaculture <p>Renibacterium salmoninarum, the etiological agent of bacterial kidney disease (BKD), remains a major challenge for salmonid aquaculture due to its intracellular lifestyle, chronic infection pattern, and the limited efficacy of current control strategies. In this study, a multiepitope vaccine candidate against Renibacterium salmoninarum was designed using reverse vaccinology and immunoinformatics approaches. Conserved antigenic proteins shared among three bacterial strains were identified through a systematic screening pipeline that included virulence prediction, essentiality analysis, antigenicity assessment, and exclusion of host homologs. Selected B-cell, MHC-I, and MHC-II epitopes were assembled into a chimeric construct and combined with conserved flagellin D0/D1 domains as a TLR5-targeting molecular adjuvant. The resulting construct, designated RS-MEVC, exhibited favorable predicted physicochemical and immunological properties, including high antigenicity, non-allergenicity, structural stability, and favorable stereochemical quality. Three-dimensional modeling revealed a predominantly α-helical structure, and structural validation supported the reliability of the refined model. Molecular docking predicted a stable interaction between RS-MEVC and Atlantic salmon TLR5, supported by multiple hydrogen bonds, salt bridges, and extensive intermolecular contacts. Molecular dynamics simulations further indicated stable conformational behavior of both the free vaccine construct and the vaccine-TLR5 complex, while MM-PBSA analysis predicted favorable binding energetics. Codon optimization and in silico cloning supported the feasibility of recombinant expression in Escherichia coli. Overall, these findings identify RS-MEVC as a promising computationally designed vaccine candidate against BKD and provide a rational framework for its subsequent experimental evaluation in salmonids.</p> 2026-09-25T11:53:28Z Dataset Dataset 10.3389/fbinf.2026.1899416.s001 https://figshare.com/articles/dataset/Table_1_Reverse_vaccinology_and_immunoinformatics-driven_design_of_a_multiepitope_vaccine_candidate_against_Renibacterium_salmoninarum_docx/33994839 CC BY 4.0