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Exploration of surface glycoprotein to design multi-epitope vaccine for the prevention of Covid-19.

ABSTRACT: Stimulation and generation of T and B cell-mediated long-term immune response are essential for the curbing of a deadly virus such as SAR-CoV-2 (Severe Acute Respiratory Corona Virus 2). Immunoinformatics approach in vaccine design takes advantage of antigenic and non-allergenic epitopes present on the spike glycoprotein of SARS-CoV-2 to elicit immune responses. T cells and B cells epitopes were predicted, and the selected residues were subjected to allergenicity, antigenicity and toxicity screening which were linked by appropriate linkers to form a multi-epitope subunit vaccine. The physiochemical properties of the vaccine construct were analyzed, and the molecular weight, molecular formula, theoretical isoelectric point value, half-life, solubility score, instability index, aliphatic index and GRAVY were predicted. The vaccine structure was constructed, refined, validated, and disulfide engineered to get the best model. Molecular binding simulation and molecular dynamics simulation were carried out to predict the stability and binding affinity of the vaccine construct with TLRs. Codon acclimatization and in silico cloning were performed to confirm the vaccine expression and potency. Results obtained indicated that this novel vaccine candidate is non-toxic, capable of initiating the immunogenic response and will not induce an allergic reaction. The highest binding energy was observed in TLR4 (Toll-like Receptor 4) (-1398.1), and the least is TLR 2 (-1479.6). The steady rise in Th (T-helper) cell population with memory development was noticed, and IFN-g (Interferon gamma) was provoked after simulation. At this point, the vaccine candidate awaits animal trial to validate its efficacy and safety for use in the prevention of the novel COVID-19 (Coronavirus Disease 2019) infections.

SUBMITTER: Oladipo EK

PROVIDER: S-EPMC7533051 | biostudies-literature | 2020

REPOSITORIES: biostudies-literature

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Exploration of surface glycoprotein to design multi-epitope vaccine for the prevention of Covid-19.

Oladipo Elijah Kolawole EK Ajayi Ayodeji Folorunsho AF Ariyo Olumuyiwa Elijah OE Onile Samson Olugbenga SO Jimah Esther Moradeyo EM Ezediuno Louis Odinakaose LO Adebayo Oluwadunsin Iyanuoluwa OI Adebayo Emmanuel Tayo ET Odeyemi Aduragbemi Noah AN Oyeleke Marvellous Oluwaseun MO Oyewole Moyosoluwa Precious MP Oguntomi Ayomide Samuel AS Akindiya Olawumi Elizabeth OE Olamoyegun Bunmi Olayemi BO Aremu Victoria Oyetayo VO Arowosaye Abiola O AO Aboderin Dorcas Olubunmi DO Bello Habibat Bolanle HB Senbadejo Tosin Yetunde TY Awoyelu Elukunbi Hilda EH Oladipo Adio Abayomi AA Oladipo Bukola Bisola BB Ajayi Lydia Oluwatoyin LO Majolagbe Olusola Nathaniel ON Oyawoye Olubukola Monisola OM Oloke Julius Kola JK

Informatics in medicine unlocked 20201004

Stimulation and generation of T and B cell-mediated long-term immune response are essential for the curbing of a deadly virus such as SAR-CoV-2 (Severe Acute Respiratory Corona Virus 2). Immunoinformatics approach in vaccine design takes advantage of antigenic and non-allergenic epitopes present on the spike glycoprotein of SARS-CoV-2 to elicit immune responses. T cells and B cells epitopes were predicted, and the selected residues were subjected to allergenicity, antigenicity and toxicity scree ...[more]

PMID: 33043110

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Project description:COVID-19 has recently become the most serious threat to public health, and its prevalence has been increasing at an alarming rate. The incubation period for the virus is ~1-14 days and all age groups may be susceptible to a fatality rate of about 5.9%. COVID-19 is caused by a novel single-stranded, positive (+) sense RNA beta coronavirus. The development of a vaccine for SARS-CoV-2 is an urgent need worldwide. Immunoinformatics approaches are both cost-effective and convenient, as in silico predictions can reduce the number of experiments needed. In this study, with the aid of immunoinformatics tools, we tried to design a multi-epitope vaccine that can be used for the prevention and treatment of COVID-19. The epitopes were computed by using B cells, cytotoxic T lymphocytes (CTL), and helper T lymphocytes (HTL) base on the proteins of SARS-CoV-2. A vaccine was devised by fusing together the B cell, HTL, and CTL epitopes with linkers. To enhance the immunogenicity, the β-defensin (45 mer) amino acid sequence, and pan-HLA DR binding epitopes (13aa) were adjoined to the N-terminal of the vaccine with the help of the EAAAK linker. To enable the intracellular delivery of the modeled vaccine, a TAT sequence (11aa) was appended to C-terminal. Linkers play vital roles in producing an extended conformation (flexibility), protein folding, and separation of functional domains, and therefore, make the protein structure more stable. The secondary and three-dimensional (3D) structure of the final vaccine was then predicted. Furthermore, the complex between the final vaccine and immune receptors (toll-like receptor-3 (TLR-3), major histocompatibility complex (MHC-I), and MHC-II) were evaluated by molecular docking. Lastly, to confirm the expression of the designed vaccine, the mRNA of the vaccine was enhanced with the aid of the Java Codon Adaptation Tool, and the secondary structure was generated from Mfold. Then we performed in silico cloning. The final vaccine requires experimental validation to determine its safety and efficacy in controlling SARS-CoV-2 infections.

Dataset Information

Exploration of surface glycoprotein to design multi-epitope vaccine for the prevention of Covid-19.

Publications

Exploration of surface glycoprotein to design multi-epitope vaccine for the prevention of Covid-19.

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