Proteomics-based vaccine targets annotation and design of subunit and mRNA-based vaccines for Monkeypox virus (MPXV) against the recent outbreak

Jin, Yifan; Fayyaz, Adeela; Liaqat, Ayesha; Khan, Abbas; Alshammari, Abdulrahman; Wang, Yanjing; Gu, Ruo‐Xu; Wei, Dong‐Qing

doi:10.1016/j.compbiomed.2023.106893

Cited by 15 publications

(4 citation statements)

References 56 publications

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“…(2023) a vaccine construct was designed that included B- and T-cell epitopes from B13R, Abundant component of virosome, Bifunctional zinc finger-like protein/E, Ankyrin, DNA-directed RNA polymerase subunit, A18L, Bifunctional hemagglutinin/type-I membrane, IMV membrane protein, Interleukin-1 receptor antagonist-like protein, and CC-type chemokine binding protein. They also appended a beta-defensin-2 sequence as an adjuvant to the vaccine construct’s N-terminal [ 105 ]. In comparison to published articles, our study is unique in that it combined the epitopes of the cell surface-binding protein and envelope protein A28 homolog for the first time with CTxB (adjuvant) to construct a multi-epitope vaccine against MPXV.…”

Section: Discussionmentioning

confidence: 99%

“…Vaccine They also appended a beta-defensin-2 sequence as an adjuvant to the vaccine construct's N-terminal [105]. In comparison to published articles, our study is unique in that it combined the epitopes of the cell surface-binding protein and envelope protein A28 homolog for the first time with CTxB (adjuvant) to construct a multiepitope vaccine against MPXV.…”

Section: Tlr4 (A)mentioning

confidence: 99%

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In silico design and immunoinformatics analysis of a universal multi-epitope vaccine against monkeypox virus

et al. 2023

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Monkeypox virus (MPXV) outbreaks have been reported in various countries worldwide; however, there is no specific vaccine against MPXV. In this study, therefore, we employed computational approaches to design a multi-epitope vaccine against MPXV. Initially, cytotoxic T lymphocyte (CTL), helper T lymphocyte (HTL), linear B lymphocytes (LBL) epitopes were predicted from the cell surface-binding protein and envelope protein A28 homolog, both of which play essential roles in MPXV pathogenesis. All of the predicted epitopes were evaluated using key parameters. A total of 7 CTL, 4 HTL, and 5 LBL epitopes were chosen and combined with appropriate linkers and adjuvant to construct a multi-epitope vaccine. The CTL and HTL epitopes of the vaccine construct cover 95.57% of the worldwide population. The designed vaccine construct was found to be highly antigenic, non-allergenic, soluble, and to have acceptable physicochemical properties. The 3D structure of the vaccine and its potential interaction with Toll-Like receptor-4 (TLR4) were predicted. Molecular dynamics (MD) simulation confirmed the vaccine’s high stability in complex with TLR4. Finally, codon adaptation and in silico cloning confirmed the high expression rate of the vaccine constructs in strain K12 of Escherichia coli (E. coli). These findings are very encouraging; however, in vitro and animal studies are needed to ensure the potency and safety of this vaccine candidate.

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Section: Discussionmentioning

confidence: 99%

Section: Tlr4 (A)mentioning

confidence: 99%

In silico design and immunoinformatics analysis of a universal multi-epitope vaccine against monkeypox virus

et al. 2023

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“…1 A. The developed model was validated by PROCHECK and ERRAT tools [ 31 ]. According to Ramachandran plot, 95.5% of residues are in the most favored region, 4.1% residues in the additional allowed region, 0.5% in the generously allowed and 0% residues in the disallowed region in the structure of bisphosphoglycerate-independent phosphoglycerate mutase as described in Fig.…”

Section: Resultsmentioning

confidence: 99%

New drug target identification in Vibrio vulnificus by subtractive genome analysis and their inhibitors through molecular docking and molecular dynamics simulations

Alotaibi

Ajmal

Hakami

et al. 2023

Heliyon

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“…There are no such antiviral drugs or commercial vaccines against Zika virus . Vaccination is one of the important methods to prevent from infectious diseases [ 38 ], including reverse vaccinology, which is used to develop a multi-epitope vaccine, due to its efficiency and cost-effectiveness. Different protective, stable and safe vaccines were designed to prevent infectious diseases [ 39 ], including Burkholderia pseudomallei [ 40 ], SAR-CoV-2 [ 41 ], Lumpy skin disease [ 42 ], Monkey Pox [ 43 ], Helicobacter pylori [ 44 ], Aeromonas hydrophilla [ 45 ], and Klebsiella pneumonia [ 46 ].…”

Section: Discussionmentioning

confidence: 99%

An immunoinformatics and structural vaccinology approach to design a novel and potent multi-epitope base vaccine targeting Zika virus

Hakami

2024

BMC Chemistry

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Zika virus is an infectious virus, that belongs to Flaviviridae family, which is transferred to humans through mosquito vectors and severely threatens human health; but, apart from available resources, no effective and secure vaccine is present against Zika virus, to prevent such infections. In current study, we employed structural vaccinology approach to design an epitope-based vaccine against Zika virus, which is biocompatible, and secure and might trigger an adaptive and innate immune response by using computational approaches. We first retrieved the protein sequence from National Center for Biotechnology Information (NCBI) database and carried out for BLAST P. After BLAST P, predicted protein sequences were shortlisted and checked for allergic features and antigenic properties. Final sequence of Zika virus, with accession number (APO40588.1) was selected based on high antigenic score and non-allergenicity. Final protein sequence used various computational approaches including antigenicity testing, toxicity evaluation, allergenicity, and conservancy assessment to identify superior B-cell and T-cell epitopes. Two B-cell epitopes, five MHC-six MHC-II epitopes and I were used to construct an immunogenic multi-epitope-based vaccine by using suitable linkers. A 50S ribosomal protein was added at N terminal to improve the immunogenicity of vaccine. In molecular docking, strong interactions were presented between constructed vaccine and Toll-like receptor 9 (− 1100.6 kcal/mol), suggesting their possible relevance in the immunological response to vaccine. The molecular dynamics simulations ensure the dynamic and structural stability of constructed vaccine. The results of C-immune simulation revealed that constructed vaccine activate B and T lymphocytes which induce high level of antibodies and cytokines to combat Zika infection. The constructed vaccine is an effective biomarker with non-sensitization, nontoxicity; nonallergic, good immunogenicity, and antigenicity, however, experimental assays are required to verify the results of present study.

show abstract

Proteomics-based vaccine targets annotation and design of subunit and mRNA-based vaccines for Monkeypox virus (MPXV) against the recent outbreak

Cited by 15 publications

References 56 publications

In silico design and immunoinformatics analysis of a universal multi-epitope vaccine against monkeypox virus

In silico design and immunoinformatics analysis of a universal multi-epitope vaccine against monkeypox virus

New drug target identification in Vibrio vulnificus by subtractive genome analysis and their inhibitors through molecular docking and molecular dynamics simulations

An immunoinformatics and structural vaccinology approach to design a novel and potent multi-epitope base vaccine targeting Zika virus

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