ArticleBioMed research international2021
Immunoinformatics and Molecular Docking Studies Predicted Potential Multiepitope-Based Peptide Vaccine and Novel Compounds against Novel SARS-CoV-2 through Virtual Screening.
Article in BioMed research international, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 20 papers.
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Who cites it
20 citing papers in PubMed, 41 citations in OpenAlex.
- Immunopharmacological design of a multi-epitope vaccine targeting sarbecovirus Spike glycoprotein.Naunyn-Schmiedeberg's archives of pharmacology · 2026Article
- Artificial intelligence for coordinating vaccine design, antiviral discovery, and real-world monitoring in the era of emerging and endemic viral threats.Frontiers in pharmacology · 2026Review
- Genome-wide identification of potassium transporters and channels in Malus domestica genome.Scientific reports · 2025Article
- Article
- Advancing COVID-19 Treatment: The Role of Non-covalent Inhibitors Unveiled by Integrated Machine Learning and Network Pharmacology.Current pharmaceutical design · 2025Article
- Potential diagnostic and drug target markers in glioblastoma.Scientific reports · 2024Article
- Virtual Screening of Peptide Libraries: The Search for Peptide-Based Therapeutics Using Computational Tools.International journal of molecular sciences · 2024Review
- Multi-epitope vaccine against SARS-CoV-2 targeting the spike RBD: an immunoinformatics approach.Future science OA · 2024Article
- Article
- In silico identification of novel stilbenes analogs for potential multi-targeted drugs against Alzheimer's disease.Journal of molecular modeling · 2023Article
- In silico elucidation of potential drug targets against oxygenase domain of Human eNOS Dysfunction.PloS one · 2023Article
- Elucidation of novel compounds and epitope-based peptide vaccine design against C30 endopeptidase regions of SARS-CoV-2 using immunoinformatics approaches.Frontiers in cellular and infection microbiology · 2023Article
- Mapping Potential Vaccine Candidates Predicted by VaxiJen for Different Viral Pathogens between 2017-2021-A Scoping Review.Vaccines · 2022Article
- Review
- Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2.Chemical reviews · 2022Review
- Immune Response to SARS-CoV-2 Vaccines.Biomedicines · 2022Review
- Epitope-based peptide vaccine design and elucidation of novel compounds against 3C like protein of SARS-CoV-2.PloS one · 2022Article
- SARS-CoV-2 subunit vaccine adjuvants and their signaling pathways.Expert review of vaccines · 2022Review
- Article
- Lessons Learned from Cutting-Edge Immunoinformatics on Next-Generation COVID-19 Vaccine Research.International journal of peptide research and therapeutics · 2021Article
Corrections and comments
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Authors and funding
12 authors at 4 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
backgroundCoronaviruses (CoVs) are enveloped positive-strand RNA viruses which have club-like spikes at the surface with a unique replication process. Coronaviruses are categorized as major pathogenic viruses causing a variety of diseases in birds and mammals including humans (lethal respiratory dysfunctions). Nowadays, a new strain of coronaviruses is identified and named as SARS-CoV-2. Multiple cases of SARS-CoV-2 attacks are being reported all over the world. SARS-CoV-2 showed high death rate; however, no specific treatment is available against SARS-CoV-2.
methodsIn the current study, immunoinformatics approaches were employed to predict the antigenic epitopes against SARS-CoV-2 for the development of the coronavirus vaccine. Cytotoxic T-lymphocyte and B-cell epitopes were predicted for SARS-CoV-2 coronavirus protein. Multiple sequence alignment of three genomes (SARS-CoV, MERS-CoV, and SARS-CoV-2) was used to conserved binding domain analysis.
resultsThe docking complexes of 4 CTL epitopes with antigenic sites were analyzed followed by binding affinity and binding interaction analyses of top-ranked predicted peptides with MHC-I HLA molecule. The molecular docking (Food and Drug Regulatory Authority library) was performed, and four compounds exhibiting least binding energy were identified. The designed epitopes lead to the molecular docking against MHC-I, and interactional analyses of the selected docked complexes were investigated. In conclusion, four CTL epitopes (GTDLEGNFY, TVNVLAWLY, GSVGFNIDY, and QTFSVLACY) and four FDA-scrutinized compounds exhibited potential targets as peptide vaccines and potential biomolecules against deadly SARS-CoV-2, respectively. A multiepitope vaccine was also designed from different epitopes of coronavirus proteins joined by linkers and led by an adjuvant.
conclusionOur investigations predicted epitopes and the reported molecules that may have the potential to inhibit the SARS-CoV-2 virus. These findings can be a step towards the development of a peptide-based vaccine or natural compound drug target against SARS-CoV-2.
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