Exploring SARS-COV-2 structural proteins to design a multi-epitope vaccine using immunoinformatics approach: An in silico study. 2021

Samira Sanami, and Morteza Alizadeh, and Masoud Nosrati, and Korosh Ashrafi Dehkordi, and Fatemeh Azadegan-Dehkordi, and Shahram Tahmasebian, and Hamed Nosrati, and Mohammad-Hassan Arjmand, and Maryam Ghasemi-Dehnoo, and Ali Rafiei, and Nader Bagheri
Department of Medical Biotechnology, School of Advanced Technologies, Shahrekord University of Medical Sciences, Shahrekord, Iran.

In December 2019, a new virus called SARS-CoV-2 was reported in China and quickly spread to other parts of the world. The development of SARS-COV-2 vaccines has recently received much attention from numerous researchers. The present study aims to design an effective multi-epitope vaccine against SARS-COV-2 using the reverse vaccinology method. In this regard, structural proteins from SARS-COV-2, including the spike (S), envelope (E), membrane (M), and nucleocapsid (N) proteins, were selected as target antigens for epitope prediction. A total of five helper T lymphocytes (HTL) and five cytotoxic T lymphocytes (CTL) epitopes were selected after screening the predicted epitopes for antigenicity, allergenicity, and toxicity. Subsequently, the selected HTL and CTL epitopes were fused via flexible linkers. Next, the cholera toxin B-subunit (CTxB) as an adjuvant was linked to the N-terminal of the chimeric structure. The proposed vaccine was analyzed for the properties of physicochemical, antigenicity, and allergenicity. The 3D model of the vaccine construct was predicted and docked with the Toll-like receptor 4 (TLR4). The molecular dynamics (MD) simulation was performed to evaluate the stable interactions between the vaccine construct and TLR4. The immune simulation was also conducted to explore the immune responses induced by the vaccine. Finally, in silico cloning of the vaccine construct into the pET-28 (+) vector was conducted. The results obtained from all bioinformatics analysis stages were satisfactory; however, in vitro and in vivo tests are essential to validate these results.

UI MeSH Term Description Entries
D002681 China A country spanning from central Asia to the Pacific Ocean. Inner Mongolia,Manchuria,People's Republic of China,Sinkiang,Mainland China
D006801 Humans Members of the species Homo sapiens. Homo sapiens,Man (Taxonomy),Human,Man, Modern,Modern Man
D000086382 COVID-19 A viral disorder generally characterized by high FEVER; COUGH; DYSPNEA; CHILLS; PERSISTENT TREMOR; MUSCLE PAIN; HEADACHE; SORE THROAT; a new loss of taste and/or smell (see AGEUSIA and ANOSMIA) and other symptoms of a VIRAL PNEUMONIA. In severe cases, a myriad of coagulopathy associated symptoms often correlating with COVID-19 severity is seen (e.g., BLOOD COAGULATION; THROMBOSIS; ACUTE RESPIRATORY DISTRESS SYNDROME; SEIZURES; HEART ATTACK; STROKE; multiple CEREBRAL INFARCTIONS; KIDNEY FAILURE; catastrophic ANTIPHOSPHOLIPID ANTIBODY SYNDROME and/or DISSEMINATED INTRAVASCULAR COAGULATION). In younger patients, rare inflammatory syndromes are sometimes associated with COVID-19 (e.g., atypical KAWASAKI SYNDROME; TOXIC SHOCK SYNDROME; pediatric multisystem inflammatory disease; and CYTOKINE STORM SYNDROME). A coronavirus, SARS-CoV-2, in the genus BETACORONAVIRUS is the causative agent. 2019 Novel Coronavirus Disease,2019 Novel Coronavirus Infection,2019-nCoV Disease,2019-nCoV Infection,COVID-19 Pandemic,COVID-19 Pandemics,COVID-19 Virus Disease,COVID-19 Virus Infection,Coronavirus Disease 2019,Coronavirus Disease-19,SARS Coronavirus 2 Infection,SARS-CoV-2 Infection,Severe Acute Respiratory Syndrome Coronavirus 2 Infection,COVID19,2019 nCoV Disease,2019 nCoV Infection,2019-nCoV Diseases,2019-nCoV Infections,COVID 19,COVID 19 Pandemic,COVID 19 Virus Disease,COVID 19 Virus Infection,COVID-19 Virus Diseases,COVID-19 Virus Infections,Coronavirus Disease 19,Disease 2019, Coronavirus,Disease, 2019-nCoV,Disease, COVID-19 Virus,Infection, 2019-nCoV,Infection, COVID-19 Virus,Infection, SARS-CoV-2,Pandemic, COVID-19,SARS CoV 2 Infection,SARS-CoV-2 Infections,Virus Disease, COVID-19,Virus Infection, COVID-19
D000086402 SARS-CoV-2 A species of BETACORONAVIRUS causing atypical respiratory disease (COVID-19) in humans. The organism was first identified in 2019 in Wuhan, China. The natural host is the Chinese intermediate horseshoe bat, RHINOLOPHUS affinis. 2019 Novel Coronavirus,COVID-19 Virus,COVID19 Virus,Coronavirus Disease 2019 Virus,SARS Coronavirus 2,SARS-CoV-2 Virus,Severe Acute Respiratory Syndrome Coronavirus 2,Wuhan Coronavirus,Wuhan Seafood Market Pneumonia Virus,2019-nCoV,2019 Novel Coronaviruses,COVID 19 Virus,COVID-19 Viruses,COVID19 Viruses,Coronavirus 2, SARS,Coronavirus, 2019 Novel,Coronavirus, Wuhan,Novel Coronavirus, 2019,SARS CoV 2 Virus,SARS-CoV-2 Viruses,Virus, COVID-19,Virus, COVID19,Virus, SARS-CoV-2,Viruses, COVID19
D000086663 COVID-19 Vaccines Vaccines or candidate vaccines containing SARS-CoV-2 component antigens, genetic materials, or inactivated SARS-CoV-2 virus, and designed to prevent COVID-19. 2019 Novel Coronavirus Vaccine,2019 Novel Coronavirus Vaccines,2019-nCoV Vaccine,2019-nCoV Vaccines,COVID 19 Vaccine,COVID-19 Vaccine,COVID-19 Virus Vaccine,COVID-19 Virus Vaccines,COVID19 Vaccine,COVID19 Vaccines,COVID19 Virus Vaccine,COVID19 Virus Vaccines,Coronavirus Disease 2019 Vaccine,Coronavirus Disease 2019 Vaccines,Coronavirus Disease 2019 Virus Vaccine,Coronavirus Disease 2019 Virus Vaccines,Coronavirus Disease-19 Vaccine,Coronavirus Disease-19 Vaccines,SARS Coronavirus 2 Vaccines,SARS-CoV-2 Vaccine,SARS-CoV-2 Vaccines,SARS2 Vaccine,SARS2 Vaccines,2019 nCoV Vaccine,2019 nCoV Vaccines,COVID 19 Vaccines,COVID 19 Virus Vaccine,COVID 19 Virus Vaccines,Coronavirus Disease 19 Vaccine,Coronavirus Disease 19 Vaccines,SARS CoV 2 Vaccine,SARS CoV 2 Vaccines,Vaccine, 2019-nCoV,Vaccine, COVID 19,Vaccine, COVID-19,Vaccine, COVID-19 Virus,Vaccine, COVID19,Vaccine, COVID19 Virus,Vaccine, Coronavirus Disease-19,Vaccine, SARS-CoV-2,Vaccine, SARS2,Vaccines, 2019-nCoV,Vaccines, COVID-19,Vaccines, COVID-19 Virus,Vaccines, COVID19,Vaccines, COVID19 Virus,Vaccines, Coronavirus Disease-19,Vaccines, SARS-CoV-2,Vaccines, SARS2,Virus Vaccine, COVID-19,Virus Vaccine, COVID19,Virus Vaccines, COVID-19,Virus Vaccines, COVID19
D062105 Molecular Docking Simulation A computer simulation technique that is used to model the interaction between two molecules. Typically the docking simulation measures the interactions of a small molecule or ligand with a part of a larger molecule such as a protein. Molecular Docking,Molecular Docking Simulations,Molecular Docking Analysis,Analysis, Molecular Docking,Docking Analysis, Molecular,Docking Simulation, Molecular,Docking, Molecular,Molecular Docking Analyses,Molecular Dockings,Simulation, Molecular Docking
D018984 Epitopes, T-Lymphocyte Antigenic determinants recognized and bound by the T-cell receptor. Epitopes recognized by the T-cell receptor are often located in the inner, unexposed side of the antigen, and become accessible to the T-cell receptors after proteolytic processing of the antigen. T-Cell Epitopes,T-Lymphocyte Epitopes,T-Cell Epitope,T-Lymphocyte Epitope,Epitope, T-Cell,Epitope, T-Lymphocyte,Epitopes, T Lymphocyte,Epitopes, T-Cell,T Cell Epitope,T Cell Epitopes,T Lymphocyte Epitope,T Lymphocyte Epitopes
D018985 Epitopes, B-Lymphocyte Antigenic determinants recognized and bound by the B-cell receptor. Epitopes recognized by the B-cell receptor are located on the surface of the antigen. B-Cell Epitopes,B-Lymphocyte Epitopes,B-Cell Epitope,B-Lymphocyte Epitope,B Cell Epitope,B Cell Epitopes,B Lymphocyte Epitope,B Lymphocyte Epitopes,Epitope, B-Cell,Epitope, B-Lymphocyte,Epitopes, B Lymphocyte,Epitopes, B-Cell
D022223 Vaccines, Subunit Vaccines consisting of one or more antigens that stimulate a strong immune response. They are purified from microorganisms or produced by recombinant DNA techniques, or they can be chemically synthesized peptides. Subunit Vaccine,Subunit Vaccines,Vaccine, Subunit

Related Publications

Samira Sanami, and Morteza Alizadeh, and Masoud Nosrati, and Korosh Ashrafi Dehkordi, and Fatemeh Azadegan-Dehkordi, and Shahram Tahmasebian, and Hamed Nosrati, and Mohammad-Hassan Arjmand, and Maryam Ghasemi-Dehnoo, and Ali Rafiei, and Nader Bagheri
September 2020, Expert review of vaccines,
Samira Sanami, and Morteza Alizadeh, and Masoud Nosrati, and Korosh Ashrafi Dehkordi, and Fatemeh Azadegan-Dehkordi, and Shahram Tahmasebian, and Hamed Nosrati, and Mohammad-Hassan Arjmand, and Maryam Ghasemi-Dehnoo, and Ali Rafiei, and Nader Bagheri
June 2023, Biotechnology and applied biochemistry,
Samira Sanami, and Morteza Alizadeh, and Masoud Nosrati, and Korosh Ashrafi Dehkordi, and Fatemeh Azadegan-Dehkordi, and Shahram Tahmasebian, and Hamed Nosrati, and Mohammad-Hassan Arjmand, and Maryam Ghasemi-Dehnoo, and Ali Rafiei, and Nader Bagheri
January 2022, Journal of biomolecular structure & dynamics,
Samira Sanami, and Morteza Alizadeh, and Masoud Nosrati, and Korosh Ashrafi Dehkordi, and Fatemeh Azadegan-Dehkordi, and Shahram Tahmasebian, and Hamed Nosrati, and Mohammad-Hassan Arjmand, and Maryam Ghasemi-Dehnoo, and Ali Rafiei, and Nader Bagheri
February 2021, Scientific reports,
Samira Sanami, and Morteza Alizadeh, and Masoud Nosrati, and Korosh Ashrafi Dehkordi, and Fatemeh Azadegan-Dehkordi, and Shahram Tahmasebian, and Hamed Nosrati, and Mohammad-Hassan Arjmand, and Maryam Ghasemi-Dehnoo, and Ali Rafiei, and Nader Bagheri
January 2021, Informatics in medicine unlocked,
Samira Sanami, and Morteza Alizadeh, and Masoud Nosrati, and Korosh Ashrafi Dehkordi, and Fatemeh Azadegan-Dehkordi, and Shahram Tahmasebian, and Hamed Nosrati, and Mohammad-Hassan Arjmand, and Maryam Ghasemi-Dehnoo, and Ali Rafiei, and Nader Bagheri
February 2023, Vaccines,
Samira Sanami, and Morteza Alizadeh, and Masoud Nosrati, and Korosh Ashrafi Dehkordi, and Fatemeh Azadegan-Dehkordi, and Shahram Tahmasebian, and Hamed Nosrati, and Mohammad-Hassan Arjmand, and Maryam Ghasemi-Dehnoo, and Ali Rafiei, and Nader Bagheri
June 2021, Pathogens (Basel, Switzerland),
Samira Sanami, and Morteza Alizadeh, and Masoud Nosrati, and Korosh Ashrafi Dehkordi, and Fatemeh Azadegan-Dehkordi, and Shahram Tahmasebian, and Hamed Nosrati, and Mohammad-Hassan Arjmand, and Maryam Ghasemi-Dehnoo, and Ali Rafiei, and Nader Bagheri
September 2020, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences,
Samira Sanami, and Morteza Alizadeh, and Masoud Nosrati, and Korosh Ashrafi Dehkordi, and Fatemeh Azadegan-Dehkordi, and Shahram Tahmasebian, and Hamed Nosrati, and Mohammad-Hassan Arjmand, and Maryam Ghasemi-Dehnoo, and Ali Rafiei, and Nader Bagheri
January 2022, The Egyptian journal of medical human genetics,
Samira Sanami, and Morteza Alizadeh, and Masoud Nosrati, and Korosh Ashrafi Dehkordi, and Fatemeh Azadegan-Dehkordi, and Shahram Tahmasebian, and Hamed Nosrati, and Mohammad-Hassan Arjmand, and Maryam Ghasemi-Dehnoo, and Ali Rafiei, and Nader Bagheri
January 2022, BioImpacts : BI,
Copied contents to your clipboard!