Secreted Aspartyl Proteinases Targeted Multi-Epitope Vaccine Design for Candida dubliniensis Using Immunoinformatics

Abstract

Candida dubliniensis is an opportunistic pathogen associated with oral and invasive fungal infections in immune-compromised individuals. Furthermore, the emergence of C. dubliniensis antifungal drug resistance could exacerbate its treatment. Hence, in this study a multi-epitope vaccine candidate has been designed using an immunoinformatics approach by targeting C. dubliniensis secreted aspartyl proteinases (SAP) proteins. In silico tools have been utilized to predict epitopes and determine their allergic potential, antigenic potential, toxicity, and potential to elicit interleukin-2 (IL2), interleukin-4 (IL4), and IFN-γ. Using the computational tools, eight epitopes have been predicted that were then linked with adjuvants for final vaccine candidate development. Computational immune simulation has depicted that the immunogen designed emerges as a strong immunogenic candidate for a vaccine. Further, molecular docking and molecular dynamics simulation analyses revealed stable interactions between the vaccine candidate and the human toll-like receptor 5 (TLR5). Finally, immune simulations corroborated the promising candidature of the designed vaccine, thus calling for further in vivo investigation.

Deciphering the Immunogenicity of Monkeypox Proteins for Designing the Potential mRNA Vaccine

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“…Subsequently, ProSA-web ( https://prosa.services.came.sbg.ac.at/prosa.php ) [ 51 ] and PROCHECK v.3.5 ( https://www.ebi.ac.uk/thornton-srv/software/PROCHECK/ ) [ 52 ] were two of the many publicly available tools utilized for 3D structural validation. ProSA-web is a web server that evaluates the overall quality and local model quality of 3D models based on the Z-score value [ 53 , 54 ]. Meanwhile, the PROCHECK program analyzes the Ramachandran plot for the 3D structure of the vaccine construct to assess residual coverage in favored, allowed, and disallowed regions.…”