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Haemophilus influenzae is a pathogen that causes invasive bacterial infections in humans. The highest prevalence lies in both young children and adults. Generally, there are no vaccines available that target all the strains of Haemophilus influenzae. Hence, the purpose of this research is to employ bioinformatics and immunoinformatics approaches to...
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Citations
... At present, the accumulation of a large amount of genetic and structural information about pathogens in specialized databases makes it possible to use the crystal structures of viral proteins to identify potential immunogenic epitopes and predict subunit vaccines based on them using immunoinformatics approaches [44][45][46][47][48]. In addition, the development of bioinformatic tools for predicting the host's immune response allows in silico evaluation of the effectiveness of these vaccines. ...
... In addition, the development of bioinformatic tools for predicting the host's immune response allows in silico evaluation of the effectiveness of these vaccines. Considering the ensuing production of the subunit vaccines based on recombinant DNA (rDNA) technology, the time required to produce such vaccines has been significantly reduced [46,47]. ...
... Thus, the main advantage of this algorithm is an in-depth analysis of the structure of the target antigen, which allows one to take into account the spatial relationships within the protein structure and reproduce them in the modeled subunit vaccine candidates. This feature distinguishes our algorithm from those previously described in [46][47][48]. As a result, two types of subunit vaccine candidates have been proposed: a small (about 100 amino acids) monomeric polypeptide, ideally suited for recombinant expression as a fusion protein, and a more complex polypeptide that, due to its trimeric fold, is a miniature analog of the gB ectodomain. ...
Using the envelope glycoprotein B (gB) crystal structure and digital prediction algorithm, the B- and T-cell antigenic determinants (epitopes) of human herpesvirus 1 (HHV-1), also known as herpes simplex virus 1 (HSV-1), were generated, and the method for their production in the form of recombinant proteins was proposed. First, the structure of the surface topological domain (ectodomain or spike) of gB with mapped epitopes was analyzed, and the most stable and immunogenic (due to their enrichment with B-and T-cell epitopes) subdomains were selected for the modeling of subunit vaccine prototypes using the AlphaFold2 (Google DeepMind, London, UK) artificial intelligence system. The proposed candidate vaccines included both small (about 100 amino acids) monomeric polypeptides, which were ideal for recombinant expression as fusion proteins, and a more complex polypeptide, which, due to its trimeric fold, looks like a miniature analog of the gB ectodomain. In this miniature analog, the ectodomain regions with the potential to interfere efficacious expression of soluble recombinant protein in Escherichia coli have been removed. The structural stability of the modeled proteins, confirmed by molecular dynamics simulation and host immune responses, predicted in silico, indicates the suitability of the two suggested polypeptides for generating subunit vaccines using recombinant DNA technology.
... The epitopes did not overlap with any human proteins to reduce the chances of autoimmunity. In addition, the immunoinformatics results supported the immunogenic, non-toxic, and non-allergic natures of the epitopes (AlChalabi et al., 2023). Allergenicity is known as the ability of an allergen to activate potential allergic reactions in the body and is one of the prominent obstacles in vaccine development (Naveed et al., 2021). ...
The Zika virus (ZKV) is a single-stranded positive-sense, enveloped RNA virus. Zika infection during pregnancy can cause congenital microcephaly, Guillain-Barré syndrome, miscarriage, and other CNS abnormalities. The world needs safe and effective vaccinations to fight against ZIKV infection since vaccination is generally regarded as one of the most effective ways to prevent infectious diseases. In the present work, we used immunoinformatics and docking studies to construct a vaccine containing multi-epitopes using the structural and non-structural proteins of ZKV. The structural models of ZKV proteins (PrE, PrM, NS1, and NS2A) were constructed using Pyre2 and RaptorX servers. The epitopes of B-cell, T-cell (HTL and CTL), and IFN-γ were predicted, and each epitope’s immunogenic nature and physiochemical properties were confirmed. As an adjuvant, the CPG-Oligodeoxynucleotide, an agonist of Toll-like receptor 9 (TLR9), is associated to cytotoxic T-lymphocytes (CTL) epitopes via PAPAP linker. To assess the binding affinity and the tendency of the designed vaccine to induce an immune response through TLR9, molecular docking was done. In the next step, molecular dynamics (MD) simulation to 100 nanoseconds (ns) was used to evaluate the stability of the interaction of the designed vaccine with TLR9. The designed vaccine is predicted to be highly antigenic, non-toxic, soluble, and stable with low flexibility in MD simulation. MD studies indicated that the finalized vaccine-TLR9 docked complex was stable during simulation time. The vaccine construct is able to stimulate both humoral and cellular immune responses. We suppose that our constructed model of the vaccine may have the ability to induce the host immune response against ZKV. Further studies, including in vitro and in vivo experimental analyses, are needed to prove the constructed vaccine’s efficacy with multi-epitopes.
