Designing a novel in-silico multi-epitope vaccine against penicillin-binding protein 2A in Staphylococcus aureus

Olatunde, Simeon Kayowa; Oladipo, Elijah Kolawole; Owolabi, Joshua B.

doi:10.1016/j.imu.2022.101080

Cited by 5 publications

(7 citation statements)

References 48 publications

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“…The secondary structures of proteins impact protein folding and provide information regarding the functions and interactions of the protein [147]. The large proportion of random coils in the vaccine candidates indicates the high flexibility of the proteins [148].…”

Section: Discussionmentioning

confidence: 99%

Multi-epitope vaccine candidates based on mycobacterial membrane protein large (MmpL) proteins against Mycobacterium ulcerans

Ishwarlall,

Adeleke,

Maharaj

et al. 2023

Open Biol.

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Buruli ulcer (BU) is a neglected tropical disease. It is caused by the bacterium Mycobacterium ulcerans and is characterized by skin lesions. Several studies were performed testing the Bacillus Calmette-Guérin (BCG) vaccine in human and animal models and M. ulcerans- specific vaccines in animal models. However, there are currently no clinically accepted vaccines to prevent M. ulcerans infection. The aim of this study was to identify T-cell and B-cell epitopes from the mycobacterial membrane protein large (MmpL) proteins of M. ulcerans. These epitopes were analysed for properties including antigenicity, immunogenicity, non-allergenicity, non-toxicity, population coverage and the potential to induce cytokines. The final 8 CD8 + , 12 CD4 + T-cell and 5 B-cell epitopes were antigenic, non-allergenic and non-toxic. The estimated global population coverage of the CD8 + and CD4 + epitopes was 97.71%. These epitopes were used to construct five multi-epitope vaccine constructs with different adjuvants and linker combinations. The constructs underwent further structural analyses and refinement. The constructs were then docked with Toll-like receptors. Three of the successfully docked complexes were structurally analysed. Two of the docked complexes successfully underwent molecular dynamics simulations (MDS) and post-MDS analysis. The complexes generated were found to be stable. However, experimental validation of the complexes is required.

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Section: Discussionmentioning

confidence: 99%

Multi-epitope vaccine candidates based on mycobacterial membrane protein large (MmpL) proteins against Mycobacterium ulcerans

Ishwarlall,

Adeleke,

Maharaj

et al. 2023

Open Biol.

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“…A diagnostic kit can be used to detect MRSA specific antibodies in serum samples (Oladipo et al, 2022;Metzger and Mordmüller, 2014). Multi-epitope peptides may be used to improve diagnostic kit accuracy, and antigen-based immunoassays are required for rapid point-of-care detection of MRSA.…”

Section: Discussionmentioning

confidence: 99%

“…All synthetic gene design systems include a backtranslation module. The degeneracy of the genetic code makes backtranslation potentially ambiguous since most amino acids are encoded by multiple codons (Oladipo et al, 2022).…”

Section: Reverse Translation and Codon Optimizationmentioning

confidence: 99%

“…jcat.de/start.jsp) (Geourjon and Deleage, 1995) has been used to optimize constructs with GC content values between 30% and 70%. The back translation was likewise effective due to the insertion of the initiation codon AUG and the termination codon UAA (Oladipo et al, 2022).…”

Section: Reverse Translation and Codon Optimizationmentioning

confidence: 99%

“…Immunopeptidomics is a field of study that examines the collections of all peptides connected to human leukocyte antigen (HLA) molecules, and it is frequently fueled by mass spectrometry (MS) technologies. In recent years, several in-silico approaches have been used to predict and design multi-epitope peptides capable of bounding to major histocompatibility complexes (MHC) (Paul et al, 2021;Moradi et al, 2022;Oladipo et al, 2022;Khan et al, 2022;Ghulam et al, 2022;Islam et al, 2022). This study sought to develop a B-cell multi-epitope peptide for the diagnosis of MRSA infection from the blood of individuals with MRSA blood stream infection using an immunoinformatics approach, which may aid in immune response and improve serodiagnosis accuracy while speeding up diagnosis, particularly for those residing in developing and endemic areas.…”

Section: Introductionmentioning

confidence: 99%

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Immunoinformatics design of B-cell multi-epitope peptide for the diagnosis of Methicillin Resistant Staphylococcus aureus (MRSA) infection

Olatunde,

Owolabi,

Ayinde

et al. 2023

F1000Res

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Background: Methicillin (oxacillin)-resistant Staphylococcus aureus (MRSA) remains a significant clinical and epidemiological pathogen in hospital settings and in the community world-wide. The resistance to methicillin in Staphylococcus aureus is mediated by the mecA gene, which encodes penicillin-binding protein 2a (PBP2A). Rapid patient screening for MRSA is essential for infection control procedures in order to possibly enhance the outcomes of infected patients. In this study, we utilized PBP2A to predict and create a novel synthetic protein with multiple immunodominant B cell epitopes for rapid diagnosis of MRSA using an in-silico approach. Methods: Seven putative PBP2A peptides were used to analyze the protein’s primary, secondary, and tertiary structures (BepiPred). The B cell construct was then evaluated using I-TASSER server, and physicochemical properties, and homology modeling of the 3 D structure of the protein were obtained. Results: In silico analyses revealed regions with high immunogenicity. Altogether, 19 consented epitopes were selected for the in-silico succession; three consented epitopes from ALJ10988.1, three from ORN56903.1, three from AFJ06714.1, one from AEO00772.1, three from WP_000721309.1, three from WP_057521704.1, and three from WP_063851348.1. The constructs have an average length of 503 amino acids, molecular weight of 55,151.78, instability index of 41.44, theoretical PI of 9.28 and a C score −1.50. In addition, the parameters that were examined indicated the newly multi-epitope construct could potentially serve as a theoretical framework for the development of a MRSA diagnostic kit. Conclusions: Overall, we have developed an antigen-based multi-epitope peptide for the rapid and accurate diagnosis of MRSA infection through an in-silico approach, acceptable in terms of antigenicity, physicochemical properties, structural stability and strong immunogenicity.

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Reverse vaccinology & immunoinformatics approach to design a multiepitope vaccine (CV3Ag-antiMRSA) against methicillin resistant Staphylococcus aureus (MRSA) – a pathogen affecting both human and animal health

Das Mitra,

Kumar,

Rajegowda

et al. 2023

Journal of Biomolecular Structure and Dynamics

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Designing a novel in-silico multi-epitope vaccine against penicillin-binding protein 2A in Staphylococcus aureus

Cited by 5 publications

References 48 publications

Multi-epitope vaccine candidates based on mycobacterial membrane protein large (MmpL) proteins against Mycobacterium ulcerans

Multi-epitope vaccine candidates based on mycobacterial membrane protein large (MmpL) proteins against Mycobacterium ulcerans

Immunoinformatics design of B-cell multi-epitope peptide for the diagnosis of Methicillin Resistant Staphylococcus aureus (MRSA) infection

Reverse vaccinology & immunoinformatics approach to design a multiepitope vaccine (CV3Ag-antiMRSA) against methicillin resistant Staphylococcus aureus (MRSA) – a pathogen affecting both human and animal health

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