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Ehsasatvatan M, Baghban Kohnehrouz B, Nejad Iran Nejad F. Immunoinformatics Design of a Multi-Epitope Vaccine Candidate via Poxin-Schlafen Protein of Monkeypox Virus. JRUMS 2025; 24 (1) :19-46
URL: http://journal.rums.ac.ir/article-1-7594-en.html
URL: http://journal.rums.ac.ir/article-1-7594-en.html
University of Tabriz
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Immunoinformatics Design of a Multi-Epitope Vaccine Candidate via Poxin-Schlafen Protein of Monkeypox Virus
Maryam Ehsasatvatan[1], Bahram Baghban Kohnehrouz[2], Fedra Nejad Iran Nejad[3]
Received: 15/12/24 Sent for Revision: 19/01/25 Received Revised Manuscript: 01/03/25 Accepted: 04/03/25
Background and Objectives: Monkeypox virus, a DNA-enveloped virus of the orthopoxvirus family, causes monkeypox infection in humans. Poxviruses have a distinctive nuclease called poxin, which cleaves cyclic dinucleotide 2'-3'-cGAMP, a crucial secondary messenger in the cGAS-STING (Cyclic GMP-AMP Synthase-Stimulator of Interferon Genes) signaling pathway. Despite existing drugs and vaccines for orthopoxvirus infections, the recent spread of monkeypox has raised global concerns. This study investigated the poxin-schlafen protein of monkeypox virus as a potential target for a novel multi-epitope vaccine.
Materials and Methods: This study was conducted using bioinformatic data analysis. Epitopes of this protein were evaluated for non-allergenicity, non-toxicity, and the ability to elicit T and B cell responses. The interaction between the vaccine and toll-like receptor-4 (TLR-4) was assessed using Cluspro 2.0. Immune, and MD simulations were performed to confirm the reliability of the docked complexes.
Results: The designed vaccine candidate was highly antigenic, non-allergenic, soluble, and had acceptable physicochemical properties. The three-dimensional structure of the vaccine and its interaction with TLR-4 were elucidated. Molecular dynamics simulations corroborated the high stability of the vaccine-TLR-4 complex. Immune simulation indicated that the vaccine candidate effectively elicited robust protective immune responses in the human body.
Conclusion: This study identified the most efficacious epitopes from the poxin-schlafen protein of the monkeypox virus. These findings demonstrate the potential efficacy of this vaccine candidate in eliciting immune responses. This study could significantly advance the development of an antiviral vaccine against monkeypox viruses. However, further in vitro and in vivo studies are required.
Keywords: Monkeypox, Immunoinformatic, Poxin-schlafen, Vaccine candidate
Funding: The study was funded by Tabriz University, Tabriz, Iran.
Conflict interest: None declared.
Ethical considerations: Not applicable.
Authors’ contributions:
-Conceptualization: Bahram Baghban Kohnehrouz
-Methodology: Bahram Baghban Kohnehrouz, Maryam Ehsasatvatan
- Data collection: Maryam Ehsasatvatan, Fedra Nejad Iran Nejad
-Formal analysis: Maryam Ehsasatvatan
-Supervision: Bahram Baghban Kohnehrouz
-Project administration: Bahram Baghban Kohnehrouz
-Writing - original draft: Maryam Ehsasatvatan
-Writing - review & editing: Bahram Baghban Kohnehrouz
Maryam Ehsasatvatan[1], Bahram Baghban Kohnehrouz[2], Fedra Nejad Iran Nejad[3]
Received: 15/12/24 Sent for Revision: 19/01/25 Received Revised Manuscript: 01/03/25 Accepted: 04/03/25
Background and Objectives: Monkeypox virus, a DNA-enveloped virus of the orthopoxvirus family, causes monkeypox infection in humans. Poxviruses have a distinctive nuclease called poxin, which cleaves cyclic dinucleotide 2'-3'-cGAMP, a crucial secondary messenger in the cGAS-STING (Cyclic GMP-AMP Synthase-Stimulator of Interferon Genes) signaling pathway. Despite existing drugs and vaccines for orthopoxvirus infections, the recent spread of monkeypox has raised global concerns. This study investigated the poxin-schlafen protein of monkeypox virus as a potential target for a novel multi-epitope vaccine.
Materials and Methods: This study was conducted using bioinformatic data analysis. Epitopes of this protein were evaluated for non-allergenicity, non-toxicity, and the ability to elicit T and B cell responses. The interaction between the vaccine and toll-like receptor-4 (TLR-4) was assessed using Cluspro 2.0. Immune, and MD simulations were performed to confirm the reliability of the docked complexes.
Results: The designed vaccine candidate was highly antigenic, non-allergenic, soluble, and had acceptable physicochemical properties. The three-dimensional structure of the vaccine and its interaction with TLR-4 were elucidated. Molecular dynamics simulations corroborated the high stability of the vaccine-TLR-4 complex. Immune simulation indicated that the vaccine candidate effectively elicited robust protective immune responses in the human body.
Conclusion: This study identified the most efficacious epitopes from the poxin-schlafen protein of the monkeypox virus. These findings demonstrate the potential efficacy of this vaccine candidate in eliciting immune responses. This study could significantly advance the development of an antiviral vaccine against monkeypox viruses. However, further in vitro and in vivo studies are required.
Keywords: Monkeypox, Immunoinformatic, Poxin-schlafen, Vaccine candidate
Funding: The study was funded by Tabriz University, Tabriz, Iran.
Conflict interest: None declared.
Ethical considerations: Not applicable.
Authors’ contributions:
-Conceptualization: Bahram Baghban Kohnehrouz
-Methodology: Bahram Baghban Kohnehrouz, Maryam Ehsasatvatan
- Data collection: Maryam Ehsasatvatan, Fedra Nejad Iran Nejad
-Formal analysis: Maryam Ehsasatvatan
-Supervision: Bahram Baghban Kohnehrouz
-Project administration: Bahram Baghban Kohnehrouz
-Writing - original draft: Maryam Ehsasatvatan
-Writing - review & editing: Bahram Baghban Kohnehrouz
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Citation: Ehsasatvatan M, Baghban Kohnehrouz B, Nejad Iran Nejad F. Immunoinformatics Design of a Multi-Epitope Vaccine Candidate via Poxin-Schlafen Protein of Monkeypox Virus. J Rafsanjan Univ Med Sci 2025; 24 (1): 19-46. [Farsi]
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[1]- Post Doctoral Researcher in Plant Biotechnology, Dept. of Plant Breeding & Biotechnology, Faculty of Agriculture, University of Tabriz, Tabriz, Iran
[2]- Associate Prof., Dept. of Plant Breeding & Biotechnology, Faculty of Agriculture, University of Tabriz, Tabriz, Iran
[3]- MSc Graduate in Plant Biotechnology, Dept. of Plant Breeding & Biotechnology, Faculty of Agriculture, University of Tabriz, Tabriz, Iran, ORCID: 0009-0003-5258-1011
(Corresponding Author) Tel: (041) 33356003, E-mail: nejadiran.f@gmail.com
(Corresponding Author) Tel: (041) 33356003, E-mail: nejadiran.f@gmail.com
Type of Study: Research |
Subject:
ايمونولوژي
Received: 2024/12/10 | Accepted: 2025/03/4 | Published: 2025/04/21
Received: 2024/12/10 | Accepted: 2025/03/4 | Published: 2025/04/21
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