Molecular Docking of Broad-Spectrum Antibodies on Hemagglutinins of Influenza A Virus
Identifieur interne : 000067 ( Main/Exploration ); précédent : 000066; suivant : 000068Molecular Docking of Broad-Spectrum Antibodies on Hemagglutinins of Influenza A Virus
Auteurs : Khanh Pb Le [Viêt Nam] ; Phuc-Chau Do [Viêt Nam] ; Rommie E. Amaro [États-Unis] ; Ly Le [Viêt Nam, États-Unis]Source :
- Evolutionary Bioinformatics Online [ 1176-9343 ] ; 2019.
Abstract
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.
Url:
DOI: 10.1177/1176934319876938
PubMed: 31555044
PubMed Central: 6747855
Affiliations:
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Amaro</name><affiliation wicri:level="2"><nlm:aff id="aff2-1176934319876938">Department of Chemistry and Biochemistry, University of California, San Diego, CA, USA</nlm:aff><country xml:lang="fr">États-Unis</country><wicri:regionArea>Department of Chemistry and Biochemistry, University of California, San Diego, CA</wicri:regionArea><placeName><region type="state">Californie</region></placeName></affiliation></author><author><name sortKey="Le, Ly" sort="Le, Ly" uniqKey="Le L" first="Ly" last="Le">Ly Le</name><affiliation wicri:level="1"><nlm:aff id="aff1-1176934319876938">School of Biotechnology, International University, Vietnam National University, Ho Chi Minh City, Vietnam</nlm:aff><country xml:lang="fr">Viêt Nam</country><wicri:regionArea>School of Biotechnology, International University, Vietnam National University, Ho Chi Minh City</wicri:regionArea><wicri:noRegion>Ho Chi Minh City</wicri:noRegion></affiliation><affiliation wicri:level="2"><nlm:aff id="aff2-1176934319876938">Department of Chemistry and Biochemistry, University of California, San Diego, CA, USA</nlm:aff><country xml:lang="fr">États-Unis</country><wicri:regionArea>Department of Chemistry and Biochemistry, University of California, San Diego, CA</wicri:regionArea><placeName><region type="state">Californie</region></placeName></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PMC</idno><idno type="pmid">31555044</idno><idno type="pmc">6747855</idno><idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6747855</idno><idno type="RBID">PMC:6747855</idno><idno type="doi">10.1177/1176934319876938</idno><date when="2019">2019</date><idno type="wicri:Area/Pmc/Corpus">000961</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000961</idno><idno type="wicri:Area/Pmc/Curation">000961</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Curation">000961</idno><idno type="wicri:Area/Pmc/Checkpoint">000048</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Checkpoint">000048</idno><idno type="wicri:Area/Ncbi/Merge">001011</idno><idno type="wicri:Area/Ncbi/Curation">001011</idno><idno type="wicri:Area/Ncbi/Checkpoint">001011</idno><idno type="wicri:Area/Main/Merge">000067</idno><idno type="wicri:Area/Main/Curation">000067</idno><idno type="wicri:Area/Main/Exploration">000067</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">Molecular Docking of Broad-Spectrum Antibodies on Hemagglutinins of Influenza A Virus</title><author><name sortKey="Le, Khanh Pb" sort="Le, Khanh Pb" uniqKey="Le K" first="Khanh Pb" last="Le">Khanh Pb Le</name><affiliation wicri:level="1"><nlm:aff id="aff1-1176934319876938">School of Biotechnology, International University, Vietnam National University, Ho Chi Minh City, Vietnam</nlm:aff><country xml:lang="fr">Viêt Nam</country><wicri:regionArea>School of Biotechnology, International University, Vietnam National University, Ho Chi Minh City</wicri:regionArea><wicri:noRegion>Ho Chi Minh City</wicri:noRegion></affiliation></author><author><name sortKey="Do, Phuc Chau" sort="Do, Phuc Chau" uniqKey="Do P" first="Phuc-Chau" last="Do">Phuc-Chau Do</name><affiliation wicri:level="1"><nlm:aff id="aff1-1176934319876938">School of Biotechnology, International University, Vietnam National University, Ho Chi Minh City, Vietnam</nlm:aff><country xml:lang="fr">Viêt Nam</country><wicri:regionArea>School of Biotechnology, International University, Vietnam National University, Ho Chi Minh City</wicri:regionArea><wicri:noRegion>Ho Chi Minh City</wicri:noRegion></affiliation></author><author><name sortKey="Amaro, Rommie E" sort="Amaro, Rommie E" uniqKey="Amaro R" first="Rommie E" last="Amaro">Rommie E. Amaro</name><affiliation wicri:level="2"><nlm:aff id="aff2-1176934319876938">Department of Chemistry and Biochemistry, University of California, San Diego, CA, USA</nlm:aff><country xml:lang="fr">États-Unis</country><wicri:regionArea>Department of Chemistry and Biochemistry, University of California, San Diego, CA</wicri:regionArea><placeName><region type="state">Californie</region></placeName></affiliation></author><author><name sortKey="Le, Ly" sort="Le, Ly" uniqKey="Le L" first="Ly" last="Le">Ly Le</name><affiliation wicri:level="1"><nlm:aff id="aff1-1176934319876938">School of Biotechnology, International University, Vietnam National University, Ho Chi Minh City, Vietnam</nlm:aff><country xml:lang="fr">Viêt Nam</country><wicri:regionArea>School of Biotechnology, International University, Vietnam National University, Ho Chi Minh City</wicri:regionArea><wicri:noRegion>Ho Chi Minh City</wicri:noRegion></affiliation><affiliation wicri:level="2"><nlm:aff id="aff2-1176934319876938">Department of Chemistry and Biochemistry, University of California, San Diego, CA, USA</nlm:aff><country xml:lang="fr">États-Unis</country><wicri:regionArea>Department of Chemistry and Biochemistry, University of California, San Diego, CA</wicri:regionArea><placeName><region type="state">Californie</region></placeName></affiliation></author></analytic><series><title level="j">Evolutionary Bioinformatics Online</title><idno type="eISSN">1176-9343</idno><imprint><date when="2019">2019</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p>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. <italic>In silico</italic> 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.</p></div></front><back><div1 type="bibliography"><listBibl><biblStruct><analytic><author><name sortKey="Barry, Jm" uniqKey="Barry J">JM. Barry</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Bouvier, Nm" uniqKey="Bouvier N">NM Bouvier</name></author><author><name sortKey="Palese, P" uniqKey="Palese P">P. Palese</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Saunders Hastings, Pr" uniqKey="Saunders Hastings P">PR Saunders-Hastings</name></author><author><name sortKey="Krewski, D" uniqKey="Krewski D">D. Krewski</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Nguyen, D" uniqKey="Nguyen D">D. 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