Harnessing Bioinformatic Approaches to Design Novel Multi-epitope Subunit Vaccine Against Leishmania infantum

Hashemzadeh, Pejman; Ghorbanzadeh, Vajihe; Lashgarian, Hamed Esmaeil; Kheirandish, Farnaz; Dariushnejad, Hassan

doi:10.1007/s10989-019-09949-6

Cited by 19 publications

(13 citation statements)

References 58 publications

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“…In addition, an investigation of immunogenic properties of Hemolin using an immunoinformatic approach, showed that the Z-score of the modeled protein was − 7.08 kcal/mol 76 . With Z-scores of − 5.26 kcal/mol., − 9.5 kcal/mol and − 2.11 kcal/mol, Droppa-Almeida et al 77 , Rekik et al 78 , and Hashemzadeh et al 79 concluded that the predicted 3D structures were reliable and of good quality. The overall model quality suggests the qualities of X-ray crystallography with Z-score of − 4.78, − 5.48, − 3.29, and − 4.24 kcal/mol.…”

Section: Discussionmentioning

confidence: 98%

Immunoinformatics design of a novel epitope-based vaccine candidate against dengue virus

Fadaka

Sibuyi

Martin

et al. 2021

Sci Rep

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Dengue poses a global health threat, which will persist without therapeutic intervention. Immunity induced by exposure to one serotype does not confer long-term protection against secondary infection with other serotypes and is potentially capable of enhancing this infection. Although vaccination is believed to induce durable and protective responses against all the dengue virus (DENV) serotypes in order to reduce the burden posed by this virus, the development of a safe and efficacious vaccine remains a challenge. Immunoinformatics and computational vaccinology have been utilized in studies of infectious diseases to provide insight into the host–pathogen interactions thus justifying their use in vaccine development. Since vaccination is the best bet to reduce the burden posed by DENV, this study is aimed at developing a multi-epitope based vaccines for dengue control. Combined approaches of reverse vaccinology and immunoinformatics were utilized to design multi-epitope based vaccine from the sequence of DENV. Specifically, BCPreds and IEDB servers were used to predict the B-cell and T-cell epitopes, respectively. Molecular docking was carried out using Schrödinger, PATCHDOCK and FIREDOCK. Codon optimization and in silico cloning were done using JCAT and SnapGene respectively. Finally, the efficiency and stability of the designed vaccines were assessed by an in silico immune simulation and molecular dynamic simulation, respectively. The predicted epitopes were prioritized using in-house criteria. Four candidate vaccines (DV-1–4) were designed using suitable adjuvant and linkers in addition to the shortlisted epitopes. The binding interactions of these vaccines against the receptors TLR-2, TLR-4, MHC-1 and MHC-2 show that these candidate vaccines perfectly fit into the binding domains of the receptors. In addition, DV-1 has a better binding energies of − 60.07, − 63.40, − 69.89 kcal/mol against MHC-1, TLR-2, and TLR-4, with respect to the other vaccines. All the designed vaccines were highly antigenic, soluble, non-allergenic, non-toxic, flexible, and topologically assessable. The immune simulation analysis showed that DV-1 may elicit specific immune response against dengue virus. Moreover, codon optimization and in silico cloning validated the expressions of all the designed vaccines in E. coli. Finally, the molecular dynamic study shows that DV-1 is stable with minimum RMSF against TLR4. Immunoinformatics tools are now applied to screen genomes of interest for possible vaccine target. The designed vaccine candidates may be further experimentally investigated as potential vaccines capable of providing definitive preventive measure against dengue virus infection.

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Section: Discussionmentioning

confidence: 98%

Immunoinformatics design of a novel epitope-based vaccine candidate against dengue virus

Fadaka

Sibuyi

Martin

et al. 2021

Sci Rep

View full text Add to dashboard Cite

show abstract

“…Previously, some studies employed immunoinformatics approach to design and evaluate multi-epitope vaccine candidates against Leishmania parasites. Hashemzadeh et al ( 2020 ) selected B- and T cell epitopes from GP63, KMP-11 and HSP-70 proteins of L. infantum and designed a multi-epitope vaccine construct using GGGGS and GSGSGS linkers and RpfE and RpfBG G5 domain of Mycobacterium tuberculosis as adjuvant. In contrast to our study, only preliminary in-silico analyses were done for the 45.9 kDa candidate without secondary structure prediction, protein disulfide engineering, molecular docking and evaluation of immunological profile (Hashemzadeh et al 2020 ).…”

Section: Discussionmentioning

confidence: 99%

“…Hashemzadeh et al ( 2020 ) selected B- and T cell epitopes from GP63, KMP-11 and HSP-70 proteins of L. infantum and designed a multi-epitope vaccine construct using GGGGS and GSGSGS linkers and RpfE and RpfBG G5 domain of Mycobacterium tuberculosis as adjuvant. In contrast to our study, only preliminary in-silico analyses were done for the 45.9 kDa candidate without secondary structure prediction, protein disulfide engineering, molecular docking and evaluation of immunological profile (Hashemzadeh et al 2020 ). Another study by Rabienia et al ( 2020 ) utilized B- and T cell as well as IFN-γ inducing epitopes of L. major KMP-11 and HASPB to engineer a multi-epitope vaccine candidate (27.17 kDa), adjoined by GDGDG linker and profilin as adjuvant.…”

Section: Discussionmentioning

confidence: 99%

Engineering a multi-epitope vaccine candidate against Leishmania infantum using comprehensive Immunoinformatics methods

et al. 2021

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“…Since the spatial structure of random coil is loose and it is easy to form epitopes; thus, the modeled vaccines have fine structural basis because they contain large amount of this structure. Hashemzadeh et al (87), Rekik et al (88), and Droppa-Almeida et al (89) predicted tertiary structure of constructed vaccine with a Z-score of −2.11 kcal/mol, −9.5 kcal/mol, and −5.26 kcal/mol, respectively. They concluded that the predicted structures were reliable and of good quality.…”

Section: Discussionmentioning

confidence: 99%

Contriving multi-epitope vaccine ensemble for monkeypox disease using an immunoinformatics approach

et al. 2022

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The current global outbreak of monkeypox (MPX) disease, caused by Monkeypox virus (MPXV), has resulted in 16 thousand infection cases, five deaths, and has been declared a global health emergency of international concern by the World Health Organization. Given current challenges in the safety of existing vaccines, a vaccine to prevent MPX infection and/or onset of symptoms would significantly advance disease management. In this context, a multi-epitope-based vaccine could be a well-suited approach. Herein, we searched a publicly accessible database (Virus Pathogen Database and Analysis Resource) for MPXV immune epitopes from various antigens. We prioritized a group of epitopes (10 CD8+ T cells and four B-cell epitopes) using a computer-aided technique based on desirable immunological and physicochemical properties, sequence conservation criteria, and non-human homology. Three multi-epitope vaccines were constructed (MPXV-1–3) by fusing finalized epitopes with the aid of appropriate linkers and adjuvant (beta-defensin 3, 50S ribosomal protein L7/L12, and Heparin-binding hemagglutinin). Codon optimization and in silico cloning in the pET28a (+) expression vector ensure the optimal expression of each construct in the Escherichia Coli system. Two and three-dimensional structures of the constructed vaccines were predicted and refined. The optimal binding mode of the construct with immune receptors [Toll-like receptors (TLR2, TLR3, and TLR4)] was explored by molecular docking, which revealed high docking energies of MPXV-1–TLR3 (–99.09 kcal/mol), MPXV-2–TLR3 (–98.68 kcal/mol), and MPXV-3–TLR2 (–85.22 kcal/mol). Conformational stability and energetically favourable binding of the vaccine-TLR2/3 complexes were assessed by performing molecular dynamics simulations and free energy calculations (Molecular Mechanics/Generalized Born Surface Area method). In silico immune simulation suggested that innate, adaptive, and humoral responses will be elicited upon administration of such potent multi-epitope vaccine constructs. The vaccine constructs are antigenic, non-allergen, non-toxic, soluble, topographically exposed, and possess favourable physicochemical characteristics. These results may help experimental vaccinologists design a potent MPX vaccine.

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Harnessing Bioinformatic Approaches to Design Novel Multi-epitope Subunit Vaccine Against Leishmania infantum

Cited by 19 publications

References 58 publications

Immunoinformatics design of a novel epitope-based vaccine candidate against dengue virus

Immunoinformatics design of a novel epitope-based vaccine candidate against dengue virus

Engineering a multi-epitope vaccine candidate against Leishmania infantum using comprehensive Immunoinformatics methods

Contriving multi-epitope vaccine ensemble for monkeypox disease using an immunoinformatics approach

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