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Engineering an efficient poly-epitope vaccine against Toxoplasma gondii infection: A computational vaccinology study.

Ali Forouharmehr
Microbial pathogenesis | 2021

Toxoplasmosis is a zoonotic disease caused by Toxoplasma gondii. Despite the importance of toxoplasmosis, there is no comprehensive strategy to control this disease. Hence, applying the new methods such as the poly-epitope vaccine can be successful. In the current project, to engineer a potent poly-epitope vaccine, 10 antigenic proteins including BiP, GRA1, GRA2, GRA5, MIC8, MIC13, P30, PI1, SOD and Rop2 were selected based on the database. Then, B cell, MHCI and MHCII epitopes of the selected antigenic proteins were isolated by the most accurate servers. The best predicted epitopes along with a molecular adjuvant were employed to engineer a poly-epitope vaccine. After engineering, different physicochemical features, secondary and tertiary structures, molecular docking of the designed vaccine were assessed. The results of this project revealed that the designed vaccine with 730 amino acids in length and molecular weight of 77.67 kDa was a soluble protein which could bind to its receptor with an energy of 6223.43. According to the achievements of this study, it seems the designed vaccine can be an appropriate candidate to apply.

Pubmed ID: 33242641

Associated grants

None

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This is a list of tools and resources that we have found mentioned in this publication.


UniProt (tool)

RRID:SCR_002380

Collection of data of protein sequence and functional information. Resource for protein sequence and annotation data. Consortium for preservation of the UniProt databases: UniProt Knowledgebase (UniProtKB), UniProt Reference Clusters (UniRef), and UniProt Archive (UniParc), UniProt Proteomes. Collaboration between European Bioinformatics Institute (EMBL-EBI), SIB Swiss Institute of Bioinformatics and Protein Information Resource. Swiss-Prot is a curated subset of UniProtKB.

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SYFPEITHI: A Database for MHC Ligands and Peptide Motifs (tool)

RRID:SCR_013182

SYFPEITHI is a database comprising more than 7000 peptide sequences known to bind class I and class II MHC molecules. The entries are compiled from published reports only. It contains a collection of MHC class I and class II ligands and peptide motifs of humans and other species, such as apes, cattle, chicken, and mouse, for example, and is continuously updated. Searches for MHC alleles, MHC motifs, natural ligands, T-cell epitopes, source proteins/organisms and references are possible. Hyperlinks to the EMBL and PubMed databases are included. In addition, ligand predictions are available for a number of MHC allelic products. The database is based on previous publications on T-cell epitopes and MHC ligands. It contains information on: -Peptide sequences -anchor positions -MHC specificity -source proteins, source organisms -publication references Since the number of motifs continuously increases, it was necessary to set up a database which facilitates the search for peptides and allows the prediction of T-cell epitopes. The prediction is based on published motifs (pool sequencing, natural ligands) and takes into consideration the amino acids in the anchor and auxiliary anchor positions, as well as other frequent amino acids. The score is calculated according to the following rules: The amino acids of a certain peptide are given a specific value depending on whether they are anchor, auxiliary anchor or preferred residue. Ideal anchors will be given 10 points, unusual anchors 6-8 points, auxiliary anchors 4-6 and preferred residues 1-4 points. Amino acids that are regarded as having a negative effect on the binding ability are given values between -1 and -3. Sponsors: SYFPEITHI is supported by DFG-Sonderforschungsbereich 685 and theEuropean Union: EU BIOMED CT95-1627, BIOTECH CT95-0263, and EU QLQ-CT-1999-00713.

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I-TASSER (tool)

RRID:SCR_014627

Web server as integrated platform for automated protein structure and function prediction. Used for protein 3D structure prediction. Resource for automated protein structure prediction and structure-based function annotation.

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ProtParam Tool (tool)

RRID:SCR_018087

Software tool to calculate various physicochemical parameters for given protein stored in Swiss-Prot or TrEMBL or for user entered protein sequence. Protein can either be pecified as Swiss-Prot/TrEMBL accession number or ID, or in form of raw sequence. Computed parameters include molecular weight, theoretical pI, amino acid composition, atomic composition, extinction coefficient, estimated half-life, instability index, aliphatic index and grand average of hydropathicity.

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VaxiJen (tool)

RRID:SCR_018514

Web server for prediction of protective antigens, tumor antigens and subunit vaccines. Alignment free approach for antigen prediction, which is based on auto cross covariance transformation of protein sequences into uniform vectors of principal amino acid properties.

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GalaxyRefine (tool)

RRID:SCR_018531

Web server for protein structure prediction, refinement, and related methods. First rebuilds side chains and performs side-chain repacking and subsequent overall structure relaxation by molecular dynamics simulation.

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I-TASSER (tool)

RRID:SCR_018803

Web server as integrated platform for automated protein structure and function prediction. Used for protein 3D structure prediction. Resource for automated protein structure prediction and structure-based function annotation.

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ProSA web (tool)

RRID:SCR_021879

Interactive web service for recognition of errors in three dimensional structures of proteins.

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