Preparation and pore-forming mechanism of hydrogen bond and ionic bond double-driven chitosan-based mesoporous carbon

Jia, Shuangzhu; Chang-an, LI; Pan, Hongyan; Wang, Meng; Wang, Xianshu

doi:10.1016/j.ijbiomac.2021.03.024

Cited by 23 publications

(8 citation statements)

References 47 publications

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“…interaction interfaces proved that the binding affinity between rSMEV and TLR-3 was ionic and hydrogen bonds mainly. Due to the interaction of ionic bond and hydrogen bond is strong, this also indirectly indicates that the binding between rSMEV and TLR-3 is very close (64).…”

Section: Discussionmentioning

confidence: 88%

Design of a Recombinant Multivalent Epitope Vaccine Based on SARS-CoV-2 and Its Variants in Immunoinformatics Approaches

Zhu

et al. 2022

Front. Immunol.

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The development of an effective multivalent vaccine against SARS-CoV-2 variants is an important means to improve the global public health situation caused by COVID-19. In this study, we identified the antigen epitopes of the main global epidemic SARS-CoV-2 and mutated virus strains using immunoinformatics approach, and screened out 8 cytotoxic T lymphocyte epitopes (CTLEs), 17 helper T lymphocyte epitopes (HTLEs), 9 linear B-cell epitopes (LBEs) and 4 conformational B-cell epitopes (CBEs). The global population coverage of CTLEs and HTLEs was 93.16% and 99.9% respectively. These epitopes were spliced together by corresponding linkers and recombined into multivalent vaccine. In silico tests, the vaccine protein was a non-allergen and the docking with TLR-3 molecule showed a strong interaction. The results of immune simulation showed that the vaccine may be helpful to initiate both cellular and humoral immunity against all VOC. The optimistic immunogenicity of the vaccine was confirmed in vivo and in vitro finally. Therefore, our vaccine may have potential protection against SARS-CoV-2 and its variants.

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Section: Discussionmentioning

confidence: 88%

Design of a Recombinant Multivalent Epitope Vaccine Based on SARS-CoV-2 and Its Variants in Immunoinformatics Approaches

Zhu

et al. 2022

Front. Immunol.

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“…86 The shift of binding energy on –NH 2 could be attributed to the formation of hydrogen bonds. 87 Moreover, the Zn 2p spectra are presented in Fig. 5d.…”

Section: Resultsmentioning

confidence: 99%

Construction of Janus-structured ZnO@ZIF-8(-NH₂)/cellulose nanofiber foam for highly efficient adsorption and photocatalysis-assisted desorption of tetracycline

Zhang

Shah

et al. 2022

J. Mater. Chem. A

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“…The results showed the lowest energy value (more stable) for vaccine-TLR3 complexes. Further, ionic and hydrogen bonding also indirectly supported the stable binding between vaccine constructs and TLR3 ( 91 ). MPXV-1/2 had high docking energy with TLR3 and therefore was subjected to additional analysis.…”

Section: Discussionmentioning

confidence: 98%

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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Preparation and pore-forming mechanism of hydrogen bond and ionic bond double-driven chitosan-based mesoporous carbon

Cited by 23 publications

References 47 publications

Design of a Recombinant Multivalent Epitope Vaccine Based on SARS-CoV-2 and Its Variants in Immunoinformatics Approaches

Design of a Recombinant Multivalent Epitope Vaccine Based on SARS-CoV-2 and Its Variants in Immunoinformatics Approaches

Construction of Janus-structured ZnO@ZIF-8(-NH₂)/cellulose nanofiber foam for highly efficient adsorption and photocatalysis-assisted desorption of tetracycline

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

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Preparation and pore-forming mechanism of hydrogen bond and ionic bond double-driven chitosan-based mesoporous carbon

Cited by 23 publications

References 47 publications

Design of a Recombinant Multivalent Epitope Vaccine Based on SARS-CoV-2 and Its Variants in Immunoinformatics Approaches

Design of a Recombinant Multivalent Epitope Vaccine Based on SARS-CoV-2 and Its Variants in Immunoinformatics Approaches

Construction of Janus-structured ZnO@ZIF-8(-NH2)/cellulose nanofiber foam for highly efficient adsorption and photocatalysis-assisted desorption of tetracycline

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

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Construction of Janus-structured ZnO@ZIF-8(-NH₂)/cellulose nanofiber foam for highly efficient adsorption and photocatalysis-assisted desorption of tetracycline