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

Elijah Kolawole Oladipo; Ayodeji Folorunsho Ajayi; Olumuyiwa Elijah Ariyo; Samson Olugbenga Onile; Esther Moradeyo Jimah; Louis Odinakaose Ezediuno; Oluwadunsin Iyanuoluwa Adebayo; Emmanuel Tayo Adebayo; Aduragbemi Noah Odeyemi; Marvellous Oluwaseun Oyeleke; Moyosoluwa Precious Oyewole; Ayomide Samuel Oguntomi; Olawumi Elizabeth Akindiya; Bunmi Olayemi Olamoyegun; Victoria Oyetayo Aremu; Abiola O Arowosaye; Dorcas Olubunmi Aboderin; Habibat Bolanle Bello; Tosin Yetunde Senbadejo; Elukunbi Hilda Awoyelu; Adio Abayomi Oladipo; Bukola Bisola Oladipo; Lydia Oluwatoyin Ajayi; Olusola Nathaniel Majolagbe; Olubukola Monisola Oyawoye; Julius Kola Oloke

doi:10.1016/j.imu.2020.100438

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

Inform Med Unlocked. 2020:21:100438. doi: 10.1016/j.imu.2020.100438. Epub 2020 Oct 4.

Authors

Elijah Kolawole Oladipo^{1

2}, Ayodeji Folorunsho Ajayi³, Olumuyiwa Elijah Ariyo⁴, Samson Olugbenga Onile⁵, Esther Moradeyo Jimah^{6

2}, Louis Odinakaose Ezediuno^{7

2}, Oluwadunsin Iyanuoluwa Adebayo^{3

2}, Emmanuel Tayo Adebayo^{3

2}, Aduragbemi Noah Odeyemi^{3

2}, Marvellous Oluwaseun Oyeleke³, Moyosoluwa Precious Oyewole⁸, Ayomide Samuel Oguntomi², Olawumi Elizabeth Akindiya⁹, Bunmi Olayemi Olamoyegun², Victoria Oyetayo Aremu^{3

2}, Abiola O Arowosaye¹⁰, Dorcas Olubunmi Aboderin¹¹, Habibat Bolanle Bello¹², Tosin Yetunde Senbadejo¹³, Elukunbi Hilda Awoyelu¹⁴, Adio Abayomi Oladipo¹⁵, Bukola Bisola Oladipo¹⁶, Lydia Oluwatoyin Ajayi¹⁷, Olusola Nathaniel Majolagbe¹⁸, Olubukola Monisola Oyawoye¹, Julius Kola Oloke¹⁴

Affiliations

¹ Department of Microbiology, Laboratory of Molecular Biology, Immunology and Bioinformatics, Adeleke University, Ede, Osun State, Nigeria.
² Genomics Unit, Helix Biogen Consult, Ogbomoso, Oyo state, Nigeria.
³ Reproduction and Bioinformatics Unit, Department of Medical Physiology, Ladoke Akintola University of Technology, Ogbomoso, Oyo State, Nigeria.
⁴ Department of Medicine, Infectious Diseases and Tropical Medicine Unit, Federal Teaching Hospital, Ido-Ekiti, Ekiti State, Nigeria.
⁵ Biotechnology Programme, Department of Biological Sciences, Elizade University, Nigeria.
⁶ Department of Medical Microbiology and Parasitology, University of Ilorin, Kwara State, Nigeria.
⁷ Department of Microbiology and Parasitology, University of Ilorin, Kwara State, Nigeria.
⁸ Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Oyo State, Nigeria.
⁹ Microbiology Programme, Department of Biological Science, Olusegun Agagu University of Science and Technology, Okitipupa, Ondo State, Nigeria.
¹⁰ Department of Virology, University of Ibadan, Ibadan, Oyo State, Nigeria.
¹¹ Department of Medical Microbiology and Parasitology, University of Lagos, Lagos State, Nigeria.
¹² Department of Microbiology, Kebbi State University, Aliero, Kebbi State, Nigeria.
¹³ Department of Microbiology, Fountain University, Osogbo, Osun State, Nigeria.
¹⁴ Department of Natural Sciences, Precious Conerstone University, Ibadan, Oyo State, Nigeria.
¹⁵ Department of Haematology and Blood Grouping Serology, Obafemi Awolowo Teaching Hospital Complex, Ile-Ife Wesley Guild Hospital Wing, Osun State, Nigeria.
¹⁶ Department of Clinical Nursing, Bowen University Teaching Hospital, Ogbomoso, Oyo State, Nigeria.
¹⁷ Department of Biochemistry, Adeleke University, Ede, Osun State, Nigeria.
¹⁸ Department of Pure and Applied Biology, Ladoke Akintola University of Technology, Ogbomoso, Oyo State, Nigeria.

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.

Keywords: COVID-19; Immunity; SARS-CoV-2; Subunit vaccine; TLRs.