Immunoinformatic approach for the evaluation of sortase C and E proteins as vaccine targets against caseous lymphadenitis

Silva, Felipe Moura; Barbosa, Marcelo dos Santos; Tiwari, Sandeep; Seyffert, Núbia; Azevedo, Vasco; Nascimento, Roberto José Meyer; Castro, Thiago Luiz de Paula; Marchioro, Silvana Beutinger

doi:10.1016/j.imu.2021.100718

Cited by 2 publications

(2 citation statements)

References 48 publications

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“…The physiochemical properties of the vaccine were then checked to guide experimentalists in the experimental evaluation of the vaccine [85]. As the sequence homology template of the vaccine was not available, ab initio structure modeling of the vaccine was completed and refined for steric clashes so a proper conformation structure was used [86]. In the molecular docking phase, the designed vaccine construct was checked for its binding affinity with immune cell receptors [87] and validated by dynamics study [88].…”

Section: Discussionmentioning

confidence: 99%

Towards A Novel Multi-Epitopes Chimeric Vaccine for Simulating Strong Immune Responses and Protection against Morganella morganii

Ullah

Ahmad

Ismail

et al. 2021

IJERPH

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Morganella morganii is one of the main etiological agents of hospital-acquired infections and no licensed vaccine is available against the pathogen. Herein, we designed a multi-epitope-based vaccine against M. morganii. Predicted proteins from fully sequenced genomes of the pathogen were subjected to a core sequences analysis, followed by the prioritization of non-redundant, host non-homologous and extracellular, outer membrane and periplasmic membrane virulent proteins as vaccine targets. Five proteins (TonB-dependent siderophore receptor, serralysin family metalloprotease, type 1 fimbrial protein, flagellar hook protein (FlgE), and pilus periplasmic chaperone) were shortlisted for the epitope prediction. The predicted epitopes were checked for antigenicity, toxicity, solubility, and binding affinity with the DRB*0101 allele. The selected epitopes were linked with each other through GPGPG linkers and were joined with the cholera toxin B subunit (CTBS) to boost immune responses. The tertiary structure of the vaccine was modeled and blindly docked with MHC-I, MHC-II, and Toll-like receptors 4 (TLR4). Molecular dynamic simulations of 250 nanoseconds affirmed that the designed vaccine showed stable conformation with the receptors. Further, intermolecular binding free energies demonstrated the domination of both the van der Waals and electrostatic energies. Overall, the results of the current study might help experimentalists to develop a novel vaccine against M. morganii.

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Section: Discussionmentioning

confidence: 99%

Towards A Novel Multi-Epitopes Chimeric Vaccine for Simulating Strong Immune Responses and Protection against Morganella morganii

Ullah

Ahmad

Ismail

et al. 2021

IJERPH

View full text Add to dashboard Cite

show abstract

“…Reverse vaccinology (RV) is a methodology employed for the prediction of good vaccine targets from a pathogen’s genome [ 14 ] and has been successfully used in the development of meningococcal serogroup B (4CMenB) [ 15 ]. Pan-genomic reverse vaccinology (PGRV) in particular is more efficient compared to pasture base vaccinology as PGRV predicts vaccine targets from the core proteome, which are considered promising broad-spectrum targets [ 16 ].…”

Section: Introductionmentioning

confidence: 99%

Computational Based Designing of a Multi-Epitopes Vaccine against Burkholderia mallei

et al. 2022

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The emergence of antibiotic resistance in bacterial species is a major threat to public health and has resulted in high mortality as well as high health care costs. Burkholderia mallei is one of the etiological agents of health care-associated infections. As no licensed vaccine is available against the pathogen herein, using reverse vaccinology, bioinformatics, and immunoinformatics approaches, a multi-epitope-based vaccine against B. mallei was designed. In completely sequenced proteomes of B. mallei, 18,405 core, 3671 non-redundant, and 14,734 redundant proteins were predicted. Among the 3671 non-redundant proteins, 3 proteins were predicted in the extracellular matrix, 11 were predicted as outer membrane proteins, and 11 proteins were predicted in the periplasmic membrane. Only two proteins, type VI secretion system tube protein (Hcp) and type IV pilus secretin proteins, were selected for epitope prediction. Six epitopes, EAMPERMPAA, RSSPPAAGA, DNRPISINL, RQRFDAHAR, AERERQRFDA, and HARAAQLEPL, were shortlisted for multi-epitopes vaccine design. The predicted epitopes were linked to each other via a specific GPGPG linker and the epitopes peptide was then linked to an adjuvant molecule through an EAAAK linker to make the designed vaccine more immunologically potent. The designed vaccine was also found to have favorable physicochemical properties with a low molecular weight and fewer transmembrane helices. Molecular docking studies revealed vaccine construct stable binding with MHC-I, MHC-II, and TLR-4 with energy scores of −944.1 kcal/mol, −975.5 kcal/mol, and −1067.3 kcal/mol, respectively. Molecular dynamic simulation assay noticed stable dynamics of the docked vaccine-receptors complexes and no drastic changes were observed. Binding free energies estimation revealed a net value of −283.74 kcal/mol for the vaccine-MHC-I complex, −296.88 kcal/mol for the vaccine-MHC-II complex, and −586.38 kcal/mol for the vaccine-TLR-4 complex. These findings validate that the designed vaccine construct showed promising ability in terms of binding to immune receptors and may be capable of eliciting strong immune responses once administered to the host. Further evidence from experimentations in mice models is required to validate real immune protection of the designed vaccine construct against B. mallei.

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Immunoinformatic approach for the evaluation of sortase C and E proteins as vaccine targets against caseous lymphadenitis

Cited by 2 publications

References 48 publications

Towards A Novel Multi-Epitopes Chimeric Vaccine for Simulating Strong Immune Responses and Protection against Morganella morganii

Towards A Novel Multi-Epitopes Chimeric Vaccine for Simulating Strong Immune Responses and Protection against Morganella morganii

Computational Based Designing of a Multi-Epitopes Vaccine against Burkholderia mallei

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