Molecular Characterization and Designing of a Novel Multiepitope Vaccine Construct Against Pseudomonas aeruginosa

Abstract

Pseudomonas aeruginosa , an ESKAPE pathogen causes many fatal clinical diseases in humans across the globe. Despite an increase in clinical instances of Pseudomonas infection, there is currently no effective vaccine or treatment available. The major membrane protein candidate of the P. aeruginosa bacterial cell is known to be a critical component for cellular bacterial susceptibility to antimicrobial peptides and survival inside the host organisms. Therefore, the current computational study aims to examine P. aeruginosa’s major membrane protein, OprF, and OprI, in order to design linear B-cell, cytotoxic T-cell, and helper T-cell peptide-based vaccine constructs. Utilizing various immune-informatics tools and databases, a total of two B-cells and twelve T-cells peptides were predicted. The final vaccine design was simulated to generate a high-quality three-dimensional structure, which included epitopes, adjuvant, and linkers. The vaccine was shown to be nonallergenic, antigenic, soluble, and had the best biophysical properties. The vaccine and Toll-like receptor 4 have a strong and stable interaction, according to protein-protein docking and molecular dynamics simulations. Additionally, in silico cloning was employed to see how the developed vaccine expressed in the pET28a (+) vector. Ultimately, an immune simulation was performed to see the vaccine efficacy. In conclusion, the newly developed vaccine appears to be a promising option for a vaccine against P. aeruginosa infection. Graphical Abstract Supplementary Information The online version contains supplementary material available at 10.1007/s10989-021-10356-z.

Designing a novel multi-epitope vaccine to evoke a robust immune response against pathogenic multidrug-resistant Enterococcus faecium bacterium

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A multi-epitope vaccine designed against blood-stage of malaria: an immunoinformatic and structural approach

“…Recently, researchers can benefit from in silico methodologies for the rational design of vaccines, particularly for pathogens, because of advancements in molecular immunology, the identification of immune-dominant epitopes, and progress in bioinformatics and immune informatics approaches 50 . Different bioinformatics tools and databases have recently emerged as the most cost-effective, rapid, and reliable method for predicting most antigenic regions of protein as potential targets for the advancement of subunit vaccines 51 – 54 . In a study using an immunoinformatics approach, Jelínková, Lucie et al designed a novel and potent epitope-based malaria vaccine targeting the junctional region of the circumsporozoite protein, and as a result, the CIS43 VLP vaccine was introduced as a promising pre-erythrocytic malaria vaccine candidate 55 .…”

Contriving a multi-epitope vaccine against African swine fever utilizing immunoinformatics

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