COVID-19 spike-host cell receptor GRP78 binding site prediction.
Identifieur interne : 000539 ( PubMed/Curation ); précédent : 000538; suivant : 000540COVID-19 spike-host cell receptor GRP78 binding site prediction.
Auteurs : Ibrahim M. Ibrahim [Égypte] ; Doaa H. Abdelmalek [Égypte] ; Mohammed E. Elshahat [Égypte] ; Abdo A. Elfiky [Arabie saoudite]Source :
- The Journal of infection [ 1532-2742 ] ; 2020.
Abstract
Understanding the novel coronavirus (COVID-19) mode of host cell recognition may help to fight the disease and save lives. The spike protein of coronaviruses is the main driving force for host cell recognition.
DOI: 10.1016/j.jinf.2020.02.026
PubMed: 32169481
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Abdelmalek</name><affiliation wicri:level="1"><nlm:affiliation>Biophysics Department, Faculty of Sciences, Cairo University, Giza, Egypt.</nlm:affiliation><country xml:lang="fr">Égypte</country><wicri:regionArea>Biophysics Department, Faculty of Sciences, Cairo University, Giza</wicri:regionArea></affiliation></author><author><name sortKey="Elshahat, Mohammed E" sort="Elshahat, Mohammed E" uniqKey="Elshahat M" first="Mohammed E" last="Elshahat">Mohammed E. Elshahat</name><affiliation wicri:level="1"><nlm:affiliation>Biophysics Department, Faculty of Sciences, Cairo University, Giza, Egypt.</nlm:affiliation><country xml:lang="fr">Égypte</country><wicri:regionArea>Biophysics Department, Faculty of Sciences, Cairo University, Giza</wicri:regionArea></affiliation></author><author><name sortKey="Elfiky, Abdo A" sort="Elfiky, Abdo A" uniqKey="Elfiky A" first="Abdo A" last="Elfiky">Abdo A. Elfiky</name><affiliation wicri:level="1"><nlm:affiliation>Biophysics Department, Faculty of Sciences, Cairo University, Giza, Egypt; College of Applied Medical Sciences, University of Al-Jouf, Saudi Arabia. Electronic address: abdo@sci.cu.edu.eg.</nlm:affiliation><country xml:lang="fr">Arabie saoudite</country><wicri:regionArea>Biophysics Department, Faculty of Sciences, Cairo University, Giza, Egypt; College of Applied Medical Sciences, University of Al-Jouf</wicri:regionArea></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PubMed</idno><date when="2020">2020</date><idno type="RBID">pubmed:32169481</idno><idno type="pmid">32169481</idno><idno type="doi">10.1016/j.jinf.2020.02.026</idno><idno type="wicri:Area/PubMed/Corpus">000539</idno><idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Corpus" wicri:corpus="PubMed">000539</idno><idno type="wicri:Area/PubMed/Curation">000539</idno><idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Curation">000539</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en">COVID-19 spike-host cell receptor GRP78 binding site prediction.</title><author><name sortKey="Ibrahim, Ibrahim M" sort="Ibrahim, Ibrahim M" uniqKey="Ibrahim I" first="Ibrahim M" last="Ibrahim">Ibrahim M. Ibrahim</name><affiliation wicri:level="1"><nlm:affiliation>Biophysics Department, Faculty of Sciences, Cairo University, Giza, Egypt.</nlm:affiliation><country xml:lang="fr">Égypte</country><wicri:regionArea>Biophysics Department, Faculty of Sciences, Cairo University, Giza</wicri:regionArea></affiliation></author><author><name sortKey="Abdelmalek, Doaa H" sort="Abdelmalek, Doaa H" uniqKey="Abdelmalek D" first="Doaa H" last="Abdelmalek">Doaa H. Abdelmalek</name><affiliation wicri:level="1"><nlm:affiliation>Biophysics Department, Faculty of Sciences, Cairo University, Giza, Egypt.</nlm:affiliation><country xml:lang="fr">Égypte</country><wicri:regionArea>Biophysics Department, Faculty of Sciences, Cairo University, Giza</wicri:regionArea></affiliation></author><author><name sortKey="Elshahat, Mohammed E" sort="Elshahat, Mohammed E" uniqKey="Elshahat M" first="Mohammed E" last="Elshahat">Mohammed E. Elshahat</name><affiliation wicri:level="1"><nlm:affiliation>Biophysics Department, Faculty of Sciences, Cairo University, Giza, Egypt.</nlm:affiliation><country xml:lang="fr">Égypte</country><wicri:regionArea>Biophysics Department, Faculty of Sciences, Cairo University, Giza</wicri:regionArea></affiliation></author><author><name sortKey="Elfiky, Abdo A" sort="Elfiky, Abdo A" uniqKey="Elfiky A" first="Abdo A" last="Elfiky">Abdo A. Elfiky</name><affiliation wicri:level="1"><nlm:affiliation>Biophysics Department, Faculty of Sciences, Cairo University, Giza, Egypt; College of Applied Medical Sciences, University of Al-Jouf, Saudi Arabia. Electronic address: abdo@sci.cu.edu.eg.</nlm:affiliation><country xml:lang="fr">Arabie saoudite</country><wicri:regionArea>Biophysics Department, Faculty of Sciences, Cairo University, Giza, Egypt; College of Applied Medical Sciences, University of Al-Jouf</wicri:regionArea></affiliation></author></analytic><series><title level="j">The Journal of infection</title><idno type="eISSN">1532-2742</idno><imprint><date when="2020" type="published">2020</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">Understanding the novel coronavirus (COVID-19) mode of host cell recognition may help to fight the disease and save lives. The spike protein of coronaviruses is the main driving force for host cell recognition.</div></front></TEI><pubmed><MedlineCitation Status="Publisher" Owner="NLM"><PMID Version="1">32169481</PMID><DateRevised><Year>2020</Year><Month>03</Month><Day>20</Day></DateRevised><Article PubModel="Print-Electronic"><Journal><ISSN IssnType="Electronic">1532-2742</ISSN><JournalIssue CitedMedium="Internet"><PubDate><Year>2020</Year><Month>Mar</Month><Day>10</Day></PubDate></JournalIssue><Title>The Journal of infection</Title><ISOAbbreviation>J. Infect.</ISOAbbreviation></Journal><ArticleTitle>COVID-19 spike-host cell receptor GRP78 binding site prediction.</ArticleTitle><ELocationID EIdType="pii" ValidYN="Y">S0163-4453(20)30107-9</ELocationID><ELocationID EIdType="doi" ValidYN="Y">10.1016/j.jinf.2020.02.026</ELocationID><Abstract><AbstractText Label="OBJECTIVES" NlmCategory="OBJECTIVE">Understanding the novel coronavirus (COVID-19) mode of host cell recognition may help to fight the disease and save lives. The spike protein of coronaviruses is the main driving force for host cell recognition.</AbstractText><AbstractText Label="METHODS" NlmCategory="METHODS">In this study, the COVID-19 spike binding site to the cell-surface receptor (Glucose Regulated Protein 78 (GRP78)) is predicted using combined molecular modeling docking and structural bioinformatics. The COVID-19 spike protein is modeled using its counterpart, the SARS spike.</AbstractText><AbstractText Label="RESULTS" NlmCategory="RESULTS">Sequence and structural alignments show that four regions, in addition to its cyclic nature have sequence and physicochemical similarities to the cyclic Pep42. Protein-protein docking was performed to test the four regions of the spike that fit tightly in the GRP78 Substrate Binding Domain β (SBDβ). The docking pose revealed the involvement of the SBDβ of GRP78 and the receptor-binding domain of the coronavirus spike protein in recognition of the host cell receptor.</AbstractText><AbstractText Label="CONCLUSIONS" NlmCategory="CONCLUSIONS">We reveal that the binding is more favorable between regions III (C391-C525) and IV (C480-C488) of the spike protein model and GRP78. Region IV is the main driving force for GRP78 binding with the predicted binding affinity of -9.8 kcal/mol. These nine residues can be used to develop therapeutics specific against COVID-19.</AbstractText><CopyrightInformation>Copyright © 2020. Published by Elsevier Ltd.</CopyrightInformation></Abstract><AuthorList CompleteYN="Y"><Author ValidYN="Y"><LastName>Ibrahim</LastName><ForeName>Ibrahim M</ForeName><Initials>IM</Initials><AffiliationInfo><Affiliation>Biophysics Department, Faculty of Sciences, Cairo University, Giza, Egypt.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Abdelmalek</LastName><ForeName>Doaa H</ForeName><Initials>DH</Initials><AffiliationInfo><Affiliation>Biophysics Department, Faculty of Sciences, Cairo University, Giza, Egypt.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Elshahat</LastName><ForeName>Mohammed E</ForeName><Initials>ME</Initials><AffiliationInfo><Affiliation>Biophysics Department, Faculty of Sciences, Cairo University, Giza, Egypt.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Elfiky</LastName><ForeName>Abdo A</ForeName><Initials>AA</Initials><AffiliationInfo><Affiliation>Biophysics Department, Faculty of Sciences, Cairo University, Giza, Egypt; College of Applied Medical Sciences, University of Al-Jouf, Saudi Arabia. Electronic address: abdo@sci.cu.edu.eg.</Affiliation></AffiliationInfo></Author></AuthorList><Language>eng</Language><PublicationTypeList><PublicationType UI="D016428">Journal Article</PublicationType></PublicationTypeList><ArticleDate DateType="Electronic"><Year>2020</Year><Month>03</Month><Day>10</Day></ArticleDate></Article><MedlineJournalInfo><Country>England</Country><MedlineTA>J Infect</MedlineTA><NlmUniqueID>7908424</NlmUniqueID><ISSNLinking>0163-4453</ISSNLinking></MedlineJournalInfo><CitationSubset>IM</CitationSubset><KeywordList Owner="NOTNLM"><Keyword MajorTopicYN="N">BiP</Keyword><Keyword MajorTopicYN="N">COVID-19 spike</Keyword><Keyword MajorTopicYN="N">GRP78</Keyword><Keyword MajorTopicYN="N">Pep42</Keyword><Keyword MajorTopicYN="N">Protein-protein docking</Keyword><Keyword MajorTopicYN="N">Structural bioinformatics</Keyword></KeywordList><CoiStatement>Declaration of Competing Interests All of the authors declare that there is no competing interest in this work.</CoiStatement></MedlineCitation><PubmedData><History><PubMedPubDate PubStatus="received"><Year>2020</Year><Month>02</Month><Day>22</Day></PubMedPubDate><PubMedPubDate PubStatus="accepted"><Year>2020</Year><Month>02</Month><Day>27</Day></PubMedPubDate><PubMedPubDate PubStatus="pubmed"><Year>2020</Year><Month>3</Month><Day>15</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="medline"><Year>2020</Year><Month>3</Month><Day>15</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="entrez"><Year>2020</Year><Month>3</Month><Day>15</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate></History><PublicationStatus>aheadofprint</PublicationStatus><ArticleIdList><ArticleId IdType="pubmed">32169481</ArticleId><ArticleId IdType="pii">S0163-4453(20)30107-9</ArticleId><ArticleId IdType="doi">10.1016/j.jinf.2020.02.026</ArticleId></ArticleIdList></PubmedData></pubmed></record>Pour manipuler ce document sous Unix (Dilib)
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