Role of changes in SARS-CoV-2 spike protein in the interaction with the human ACE2 receptor: An in silico analysis
Identifieur interne : 000182 ( new/Analysis ); précédent : 000181; suivant : 000183Role of changes in SARS-CoV-2 spike protein in the interaction with the human ACE2 receptor: An in silico analysis
Auteurs : Joseph Thomas Ortega [États-Unis] ; Maria Luisa Serrano [Venezuela] ; Flor Helene Pujol [Venezuela] ; Hector Rafael Rangel [Venezuela]Source :
- EXCLI Journal [ 1611-2156 ] ; 2020.
Abstract
Many human viral diseases are a consequence of a zoonotic event. Some of the diseases caused by these zoonotic events have affected millions of people around the world, some of which have resulted in high rates of morbidity/mortality in humans. Changes in the viral proteins that function as ligands of the host receptor may promote the spillover between species. The most recent of these zoonotic events that have caused an ongoing epidemic of high magnitude is the Covid-19 epidemics caused by SARS-CoV-2. The aim of this study was to determine the mutation(s) in the sequence of the spike protein of the SARS-CoV-2 that might be favoring human to human transmission. An
Url:
DOI: 10.17179/excli2020-1167
PubMed: NONE
PubMed Central: 7081066
Affiliations:
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PMC:7081066Le document en format XML
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first="Maria Luisa" last="Serrano">Maria Luisa Serrano</name><affiliation wicri:level="1"><nlm:aff id="A2">Unidad de Química Medicinal, Facultad de Farmacia, Universidad Central de Venezuela, Caracas, Venezuela</nlm:aff><country xml:lang="fr">Venezuela</country><wicri:regionArea>Unidad de Química Medicinal, Facultad de Farmacia, Universidad Central de Venezuela, Caracas</wicri:regionArea><wicri:noRegion>Caracas</wicri:noRegion></affiliation></author><author><name sortKey="Pujol, Flor Helene" sort="Pujol, Flor Helene" uniqKey="Pujol F" first="Flor Helene" last="Pujol">Flor Helene Pujol</name><affiliation wicri:level="1"><nlm:aff id="A3">Laboratorio de Virología Molecular, Centro de Microbiología y Biología Celular, Instituto Venezolano de Investigaciones Científicas, Caracas, Venezuela</nlm:aff><country xml:lang="fr">Venezuela</country><wicri:regionArea>Laboratorio de Virología Molecular, Centro de Microbiología y Biología Celular, Instituto Venezolano de Investigaciones Científicas, 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ACE2 receptor: An <italic>in silico</italic> analysis</title><author><name sortKey="Ortega, Joseph Thomas" sort="Ortega, Joseph Thomas" uniqKey="Ortega J" first="Joseph Thomas" last="Ortega">Joseph Thomas Ortega</name><affiliation wicri:level="2"><nlm:aff id="A1">Department of Pharmacology and Cleveland Center for Membrane and Structural Biology, School of Medicine, Case Western Reserve University, Cleveland, OH 44106, USA</nlm:aff><country xml:lang="fr">États-Unis</country><wicri:regionArea>Department of Pharmacology and Cleveland Center for Membrane and Structural Biology, School of Medicine, Case Western Reserve University, Cleveland, OH 44106</wicri:regionArea><placeName><region type="state">Ohio</region></placeName></affiliation></author><author><name sortKey="Serrano, Maria Luisa" sort="Serrano, Maria Luisa" uniqKey="Serrano M" first="Maria Luisa" last="Serrano">Maria Luisa Serrano</name><affiliation wicri:level="1"><nlm:aff id="A2">Unidad de Química Medicinal, Facultad de Farmacia, Universidad Central de Venezuela, Caracas, Venezuela</nlm:aff><country xml:lang="fr">Venezuela</country><wicri:regionArea>Unidad de Química Medicinal, Facultad de Farmacia, Universidad Central de Venezuela, Caracas</wicri:regionArea><wicri:noRegion>Caracas</wicri:noRegion></affiliation></author><author><name sortKey="Pujol, Flor Helene" sort="Pujol, Flor Helene" uniqKey="Pujol F" first="Flor Helene" last="Pujol">Flor Helene Pujol</name><affiliation wicri:level="1"><nlm:aff id="A3">Laboratorio de Virología Molecular, Centro de Microbiología y Biología Celular, Instituto Venezolano de Investigaciones Científicas, Caracas, Venezuela</nlm:aff><country xml:lang="fr">Venezuela</country><wicri:regionArea>Laboratorio de Virología Molecular, Centro de Microbiología y Biología Celular, Instituto Venezolano de Investigaciones Científicas, Caracas</wicri:regionArea><wicri:noRegion>Caracas</wicri:noRegion></affiliation></author><author><name sortKey="Rangel, Hector Rafael" sort="Rangel, Hector Rafael" uniqKey="Rangel H" first="Hector Rafael" last="Rangel">Hector Rafael Rangel</name><affiliation wicri:level="1"><nlm:aff id="A3">Laboratorio de Virología Molecular, Centro de Microbiología y Biología Celular, Instituto Venezolano de Investigaciones Científicas, Caracas, Venezuela</nlm:aff><country xml:lang="fr">Venezuela</country><wicri:regionArea>Laboratorio de Virología Molecular, Centro de Microbiología y Biología Celular, Instituto Venezolano de Investigaciones Científicas, Caracas</wicri:regionArea><wicri:noRegion>Caracas</wicri:noRegion></affiliation></author></analytic><series><title level="j">EXCLI Journal</title><idno type="eISSN">1611-2156</idno><imprint><date when="2020">2020</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p>Many human viral diseases are a consequence of a zoonotic event. Some of the diseases caused by these zoonotic events have affected millions of people around the world, some of which have resulted in high rates of morbidity/mortality in humans. Changes in the viral proteins that function as ligands of the host receptor may promote the spillover between species. The most recent of these zoonotic events that have caused an ongoing epidemic of high magnitude is the Covid-19 epidemics caused by SARS-CoV-2. The aim of this study was to determine the mutation(s) in the sequence of the spike protein of the SARS-CoV-2 that might be favoring human to human transmission. An <italic>in silico</italic> approach was performed, and changes were detected in the S1 subunit of the receptor-binding domain of spike. The observed changes have significant effect on SARS-CoV-2 spike/ACE2 interaction and produce a reduction in the binding energy, compared to the one of the Bat-CoV to this receptor. The data presented in this study suggest a higher affinity of the SARS-Cov-2 spike protein to the human ACE2 receptor, compared to the one of Bat-CoV spike and ACE2. This could be the cause of the rapid viral spread of SARS-CoV-2 in humans. </p></div></front><back><div1 type="bibliography"><listBibl><biblStruct><analytic><author><name sortKey="Arnold, K" uniqKey="Arnold K">K Arnold</name></author><author><name sortKey="Bordoli, L" uniqKey="Bordoli L">L Bordoli</name></author><author><name sortKey="Kopp, J" uniqKey="Kopp J">J Kopp</name></author><author><name sortKey="Schwede, T" uniqKey="Schwede T">T Schwede</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Chen, Y" uniqKey="Chen Y">Y Chen</name></author><author><name sortKey="Guo, Y" uniqKey="Guo Y">Y Guo</name></author><author><name sortKey="Pan, Y" uniqKey="Pan Y">Y Pan</name></author><author><name sortKey="Zhao, Zj" uniqKey="Zhao Z">ZJ Zhao</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Coutard, B" uniqKey="Coutard B">B Coutard</name></author><author><name sortKey="Valle, C" uniqKey="Valle C">C 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J">J Shang</name></author><author><name sortKey="Graham, R" uniqKey="Graham R">R Graham</name></author><author><name sortKey="Baric, Rs" uniqKey="Baric R">RS Baric</name></author><author><name sortKey="Li, L" uniqKey="Li L">L Li</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Wiederstein, M" uniqKey="Wiederstein M">M Wiederstein</name></author><author><name sortKey="Sippl, Mj" uniqKey="Sippl M">MJ Sippl</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Wong, Mc" uniqKey="Wong M">MC Wong</name></author><author><name sortKey="Javornik Creegen, Sj" uniqKey="Javornik Creegen S">SJ Javornik Creegen</name></author><author><name sortKey="Ajami, Nj" uniqKey="Ajami N">NJ Ajami</name></author><author><name sortKey="Petrosino, Jf" uniqKey="Petrosino J">JF Petrosino</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Xue, Lc" uniqKey="Xue L">LC Xue</name></author><author><name sortKey="Rodrigues, Jp" uniqKey="Rodrigues J">JP Rodrigues</name></author><author><name sortKey="Kastritis, Pl" uniqKey="Kastritis P">PL Kastritis</name></author><author><name sortKey="Bonvin, Am" uniqKey="Bonvin A">AM Bonvin</name></author><author><name sortKey="Vangone, A" uniqKey="Vangone A">A Vangone</name></author></analytic></biblStruct><biblStruct><analytic><author><name sortKey="Yan, R" uniqKey="Yan R">R Yan</name></author><author><name sortKey="Zhang, Y" uniqKey="Zhang Y">Y Zhang</name></author><author><name sortKey="Li, Y" uniqKey="Li Y">Y Li</name></author><author><name sortKey="Xia, L" uniqKey="Xia L">L Xia</name></author><author><name sortKey="Guo, Y" uniqKey="Guo Y">Y Guo</name></author><author><name sortKey="Zhou, Q" uniqKey="Zhou Q">Q Zhou</name></author></analytic></biblStruct></listBibl></div1></back></TEI><affiliations><list><country><li>Venezuela</li><li>États-Unis</li></country><region><li>Ohio</li></region></list><tree><country name="États-Unis"><region name="Ohio"><name sortKey="Ortega, Joseph Thomas" sort="Ortega, Joseph Thomas" uniqKey="Ortega J" first="Joseph Thomas" last="Ortega">Joseph Thomas Ortega</name></region></country><country name="Venezuela"><noRegion><name sortKey="Serrano, Maria Luisa" sort="Serrano, Maria Luisa" uniqKey="Serrano M" first="Maria Luisa" last="Serrano">Maria Luisa Serrano</name></noRegion><name sortKey="Pujol, Flor Helene" sort="Pujol, Flor Helene" uniqKey="Pujol F" first="Flor Helene" last="Pujol">Flor Helene Pujol</name><name sortKey="Rangel, Hector Rafael" sort="Rangel, Hector Rafael" uniqKey="Rangel H" first="Hector Rafael" last="Rangel">Hector Rafael Rangel</name></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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