Molecular Docking of Broad-Spectrum Antibodies on Hemagglutinins of Influenza A Virus
Influenza A has caused several deadly pandemics throughout human history. The virus is often resistant to developed treatments because of its genetic drift or shift property. Broad-spectrum antibodies show a promising potential to overcome the resistance of influenza viruses. In silico studies on br...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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SAGE Publishing
2019-09-01
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| Series: | Evolutionary Bioinformatics |
| Online Access: | https://doi.org/10.1177/1176934319876938 |
| _version_ | 1818277219004317696 |
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| author | Khanh PB Le Phuc-Chau Do Rommie E Amaro Ly Le |
| author_facet | Khanh PB Le Phuc-Chau Do Rommie E Amaro Ly Le |
| author_sort | Khanh PB Le |
| collection | DOAJ |
| description | Influenza A has caused several deadly pandemics throughout human history. The virus is often resistant to developed treatments because of its genetic drift or shift property. Broad-spectrum antibodies show a promising potential to overcome the resistance of influenza viruses. In silico studies on broad-reactive antibodies and their interactions with hemagglutinins might shed light on the rational design of a universal vaccine. In this study, 11 broad-spectrum antibodies (or antigen-binding fragments) and 14 hemagglutinins of H3N2 and H5N1 strains were docked and analyzed to provide information about the construction of the scaffold for using universal antibodies against the influenza A virus. Antigen-binding fragments that have high number of appearances in the top 3 within each H3 and H5 subtypes were chosen for protein-protein interaction analysis. The results show that while the hydrogen bond is important for Ab/Fab binding to H3, the H5-Ab/Fab system may need cation-pi interaction for a strong interaction. |
| first_indexed | 2024-12-12T22:58:03Z |
| format | Article |
| id | doaj.art-90b4356e9d31478091b842615065d5f2 |
| institution | Directory Open Access Journal |
| issn | 1176-9343 |
| language | English |
| last_indexed | 2024-12-12T22:58:03Z |
| publishDate | 2019-09-01 |
| publisher | SAGE Publishing |
| record_format | Article |
| series | Evolutionary Bioinformatics |
| spelling | doaj.art-90b4356e9d31478091b842615065d5f22022-12-22T00:08:53ZengSAGE PublishingEvolutionary Bioinformatics1176-93432019-09-011510.1177/1176934319876938Molecular Docking of Broad-Spectrum Antibodies on Hemagglutinins of Influenza A VirusKhanh PB Le0Phuc-Chau Do1Rommie E Amaro2Ly Le3School of Biotechnology, International University, Vietnam National University, Ho Chi Minh City, VietnamSchool of Biotechnology, International University, Vietnam National University, Ho Chi Minh City, VietnamDepartment of Chemistry and Biochemistry, University of California, San Diego, CA, USADepartment of Chemistry and Biochemistry, University of California, San Diego, CA, USAInfluenza A has caused several deadly pandemics throughout human history. The virus is often resistant to developed treatments because of its genetic drift or shift property. Broad-spectrum antibodies show a promising potential to overcome the resistance of influenza viruses. In silico studies on broad-reactive antibodies and their interactions with hemagglutinins might shed light on the rational design of a universal vaccine. In this study, 11 broad-spectrum antibodies (or antigen-binding fragments) and 14 hemagglutinins of H3N2 and H5N1 strains were docked and analyzed to provide information about the construction of the scaffold for using universal antibodies against the influenza A virus. Antigen-binding fragments that have high number of appearances in the top 3 within each H3 and H5 subtypes were chosen for protein-protein interaction analysis. The results show that while the hydrogen bond is important for Ab/Fab binding to H3, the H5-Ab/Fab system may need cation-pi interaction for a strong interaction.https://doi.org/10.1177/1176934319876938 |
| spellingShingle | Khanh PB Le Phuc-Chau Do Rommie E Amaro Ly Le Molecular Docking of Broad-Spectrum Antibodies on Hemagglutinins of Influenza A Virus Evolutionary Bioinformatics |
| title | Molecular Docking of Broad-Spectrum Antibodies on Hemagglutinins of Influenza A Virus |
| title_full | Molecular Docking of Broad-Spectrum Antibodies on Hemagglutinins of Influenza A Virus |
| title_fullStr | Molecular Docking of Broad-Spectrum Antibodies on Hemagglutinins of Influenza A Virus |
| title_full_unstemmed | Molecular Docking of Broad-Spectrum Antibodies on Hemagglutinins of Influenza A Virus |
| title_short | Molecular Docking of Broad-Spectrum Antibodies on Hemagglutinins of Influenza A Virus |
| title_sort | molecular docking of broad spectrum antibodies on hemagglutinins of influenza a virus |
| url | https://doi.org/10.1177/1176934319876938 |
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