Role of RNA Guanine Quadruplexes in Favoring the Dimerization of SARS Unique Domain in Coronaviruses.
Identifieur interne : 000702 ( Main/Exploration ); précédent : 000701; suivant : 000703Role of RNA Guanine Quadruplexes in Favoring the Dimerization of SARS Unique Domain in Coronaviruses.
Auteurs : Cécilia Hognon [France] ; Tom Miclot [France, Italie] ; Cristina Garc A-Iriepa [Espagne] ; Antonio Francés-Monerris [France, Espagne] ; Stephanie Grandemange [France] ; Alessio Terenzi [Italie] ; Marco Marazzi [Espagne] ; Giampaolo Barone [Italie] ; Antonio Monari [France]Source :
- The journal of physical chemistry letters [ 1948-7185 ] ; 2020.
Descripteurs français
- KwdFr :
- ARN viral (composition chimique), ARN viral (génétique), Betacoronavirus (composition chimique), Betacoronavirus (effets des médicaments et des substances chimiques), Betacoronavirus (génétique), Dimérisation (MeSH), G-quadruplexes (effets des médicaments et des substances chimiques), Glycoprotéine de spicule des coronavirus (composition chimique), Glycoprotéine de spicule des coronavirus (génétique), Humains (MeSH), Infections à coronavirus (virologie), Liaison aux protéines (MeSH), Modèles moléculaires (MeSH), Pandémies (MeSH), Pneumopathie virale (virologie), Simulation de dynamique moléculaire (MeSH).
- MESH :
- composition chimique : ARN viral, Betacoronavirus, Glycoprotéine de spicule des coronavirus.
- effets des médicaments et des substances chimiques : Betacoronavirus, G-quadruplexes.
- génétique : ARN viral, Betacoronavirus, Glycoprotéine de spicule des coronavirus.
- virologie : Infections à coronavirus, Pneumopathie virale.
- Dimérisation, Humains, Liaison aux protéines, Modèles moléculaires, Pandémies, Simulation de dynamique moléculaire.
English descriptors
- KwdEn :
- Betacoronavirus (chemistry), Betacoronavirus (drug effects), Betacoronavirus (genetics), Coronavirus Infections (virology), Dimerization (MeSH), G-Quadruplexes (drug effects), Humans (MeSH), Models, Molecular (MeSH), Molecular Dynamics Simulation (MeSH), Pandemics (MeSH), Pneumonia, Viral (virology), Protein Binding (MeSH), RNA, Viral (chemistry), RNA, Viral (genetics), Spike Glycoprotein, Coronavirus (chemistry), Spike Glycoprotein, Coronavirus (genetics).
- MESH :
- chemical , chemistry : RNA, Viral, Spike Glycoprotein, Coronavirus.
- chemistry : Betacoronavirus.
- drug effects : Betacoronavirus, G-Quadruplexes.
- genetics : Betacoronavirus, RNA, Viral, Spike Glycoprotein, Coronavirus.
- virology : Coronavirus Infections, Pneumonia, Viral.
- Dimerization, Humans, Models, Molecular, Molecular Dynamics Simulation, Pandemics, Protein Binding.
Abstract
Coronaviruses may produce severe acute respiratory syndrome (SARS). As a matter of fact, a new SARS-type virus, SARS-CoV-2, is responsible for the global pandemic in 2020 with unprecedented sanitary and economic consequences for most countries. In the present contribution we study, by all-atom equilibrium and enhanced sampling molecular dynamics simulations, the interaction between the SARS Unique Domain and RNA guanine quadruplexes, a process involved in eluding the defensive response of the host thus favoring viral infection of human cells. Our results evidence two stable binding modes involving an interaction site spanning either the protein dimer interface or only one monomer. The free energy profile unequivocally points to the dimer mode as the thermodynamically favored one. The effect of these binding modes in stabilizing the protein dimer was also assessed, being related to its biological role in assisting the SARS viruses to bypass the host protective response. This work also constitutes a first step in the possible rational design of efficient therapeutic agents aiming at perturbing the interaction between SARS Unique Domain and guanine quadruplexes, hence enhancing the host defenses against the virus.
DOI: 10.1021/acs.jpclett.0c01097
PubMed: 32536162
PubMed Central: PMC7331935
Affiliations:
- Espagne, France, Italie
- Communauté de Madrid, Communauté valencienne, Grand Est, Lorraine (région), Sicile
- Madrid, Nancy, Palerme
- Université de Palerme
Links toward previous steps (curation, corpus...)
Le document en format XML
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Technologies, Università degli Studi di Palermo, Viale delle Scienze, 90128 Palermo, Italy.</nlm:affiliation><country xml:lang="fr">Italie</country><wicri:regionArea>Department of Biological, Chemical and Pharmaceutical Sciences and Technologies, Università degli Studi di Palermo, Viale delle Scienze, 90128 Palermo</wicri:regionArea><orgName type="university">Université de Palerme</orgName><placeName><settlement type="city">Palerme</settlement><region type="region" nuts="2">Sicile</region></placeName></affiliation></author><author><name sortKey="Monari, Antonio" sort="Monari, Antonio" uniqKey="Monari A" first="Antonio" last="Monari">Antonio Monari</name><affiliation wicri:level="3"><nlm:affiliation>Université de Lorraine and CNRS, LPCT UMR 7019, F-54000 Nancy, France.</nlm:affiliation><country xml:lang="fr">France</country><wicri:regionArea>Université de Lorraine and CNRS, LPCT UMR 7019, F-54000 Nancy</wicri:regionArea><placeName><region type="region" nuts="2">Grand Est</region><region 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first="Cécilia" last="Hognon">Cécilia Hognon</name><affiliation wicri:level="3"><nlm:affiliation>Université de Lorraine and CNRS, LPCT UMR 7019, F-54000 Nancy, France.</nlm:affiliation><country xml:lang="fr">France</country><wicri:regionArea>Université de Lorraine and CNRS, LPCT UMR 7019, F-54000 Nancy</wicri:regionArea><placeName><region type="region" nuts="2">Grand Est</region><region type="old region" nuts="2">Lorraine (région)</region><settlement type="city">Nancy</settlement></placeName></affiliation></author><author><name sortKey="Miclot, Tom" sort="Miclot, Tom" uniqKey="Miclot T" first="Tom" last="Miclot">Tom Miclot</name><affiliation wicri:level="3"><nlm:affiliation>Université de Lorraine and CNRS, LPCT UMR 7019, F-54000 Nancy, France.</nlm:affiliation><country xml:lang="fr">France</country><wicri:regionArea>Université de Lorraine and CNRS, LPCT UMR 7019, F-54000 Nancy</wicri:regionArea><placeName><region type="region" nuts="2">Grand Est</region><region type="old region" nuts="2">Lorraine (région)</region><settlement type="city">Nancy</settlement></placeName></affiliation><affiliation wicri:level="4"><nlm:affiliation>Department of Biological, Chemical and Pharmaceutical Sciences and Technologies, Università degli Studi di Palermo, Viale delle Scienze, 90128 Palermo, Italy.</nlm:affiliation><country xml:lang="fr">Italie</country><wicri:regionArea>Department of Biological, Chemical and Pharmaceutical Sciences and Technologies, Università degli Studi di Palermo, Viale delle Scienze, 90128 Palermo</wicri:regionArea><orgName type="university">Université de Palerme</orgName><placeName><settlement type="city">Palerme</settlement><region type="region" nuts="2">Sicile</region></placeName></affiliation></author><author><name sortKey="Garc A Iriepa, Cristina" sort="Garc A Iriepa, Cristina" uniqKey="Garc A Iriepa C" first="Cristina" last="Garc A-Iriepa">Cristina Garc A-Iriepa</name><affiliation wicri:level="3"><nlm:affiliation>Department of Analytical Chemistry, Physical Chemistry and Chemical Engineering, Universidad de Alcalá, Ctra. Madrid-Barcelona, Km 33,600, 28871 Alcalá de Henares, Madrid, Spain.</nlm:affiliation><country xml:lang="fr">Espagne</country><wicri:regionArea>Department of Analytical Chemistry, Physical Chemistry and Chemical Engineering, Universidad de Alcalá, Ctra. Madrid-Barcelona, Km 33,600, 28871 Alcalá de Henares, Madrid</wicri:regionArea><placeName><settlement type="city">Madrid</settlement><region nuts="2" type="region">Communauté de Madrid</region></placeName></affiliation><affiliation wicri:level="3"><nlm:affiliation>Chemical Research Institute "Andrés M. del Río" (IQAR), Universidad de Alcalá, 28871 Alcalá de Henares, Madrid, Spain.</nlm:affiliation><country xml:lang="fr">Espagne</country><wicri:regionArea>Chemical Research Institute "Andrés M. del Río" (IQAR), Universidad de Alcalá, 28871 Alcalá de Henares, Madrid</wicri:regionArea><placeName><settlement type="city">Madrid</settlement><region nuts="2" type="region">Communauté de Madrid</region></placeName></affiliation></author><author><name sortKey="Frances Monerris, Antonio" sort="Frances Monerris, Antonio" uniqKey="Frances Monerris A" first="Antonio" last="Francés-Monerris">Antonio Francés-Monerris</name><affiliation wicri:level="3"><nlm:affiliation>Université de Lorraine and CNRS, LPCT UMR 7019, F-54000 Nancy, France.</nlm:affiliation><country xml:lang="fr">France</country><wicri:regionArea>Université de Lorraine and CNRS, LPCT UMR 7019, F-54000 Nancy</wicri:regionArea><placeName><region type="region" nuts="2">Grand Est</region><region type="old region" nuts="2">Lorraine (région)</region><settlement type="city">Nancy</settlement></placeName></affiliation><affiliation wicri:level="2"><nlm:affiliation>Departament de Química Física, Universitat de València, 46100 Burjassot, Spain.</nlm:affiliation><country xml:lang="fr">Espagne</country><wicri:regionArea>Departament de Química Física, Universitat de València, 46100 Burjassot</wicri:regionArea><placeName><region nuts="2" type="communauté">Communauté valencienne</region></placeName></affiliation></author><author><name sortKey="Grandemange, Stephanie" sort="Grandemange, Stephanie" uniqKey="Grandemange S" first="Stephanie" last="Grandemange">Stephanie Grandemange</name><affiliation wicri:level="3"><nlm:affiliation>Université de Lorraine and CNRS, CRAN UMR 7039, F-54000 Nancy, France.</nlm:affiliation><country xml:lang="fr">France</country><wicri:regionArea>Université de Lorraine and CNRS, CRAN UMR 7039, F-54000 Nancy</wicri:regionArea><placeName><region type="region" nuts="2">Grand Est</region><region type="old region" nuts="2">Lorraine (région)</region><settlement type="city">Nancy</settlement></placeName></affiliation></author><author><name sortKey="Terenzi, Alessio" sort="Terenzi, Alessio" uniqKey="Terenzi A" first="Alessio" last="Terenzi">Alessio Terenzi</name><affiliation wicri:level="4"><nlm:affiliation>Department of Biological, Chemical and Pharmaceutical Sciences and Technologies, Università degli Studi di Palermo, Viale delle Scienze, 90128 Palermo, Italy.</nlm:affiliation><country xml:lang="fr">Italie</country><wicri:regionArea>Department of Biological, Chemical and Pharmaceutical Sciences and Technologies, Università degli Studi di Palermo, Viale delle Scienze, 90128 Palermo</wicri:regionArea><orgName type="university">Université de Palerme</orgName><placeName><settlement type="city">Palerme</settlement><region type="region" nuts="2">Sicile</region></placeName></affiliation></author><author><name sortKey="Marazzi, Marco" sort="Marazzi, Marco" uniqKey="Marazzi M" first="Marco" last="Marazzi">Marco Marazzi</name><affiliation wicri:level="3"><nlm:affiliation>Department of Analytical Chemistry, Physical Chemistry and Chemical Engineering, Universidad de Alcalá, Ctra. Madrid-Barcelona, Km 33,600, 28871 Alcalá de Henares, Madrid, Spain.</nlm:affiliation><country xml:lang="fr">Espagne</country><wicri:regionArea>Department of Analytical Chemistry, Physical Chemistry and Chemical Engineering, Universidad de Alcalá, Ctra. Madrid-Barcelona, Km 33,600, 28871 Alcalá de Henares, Madrid</wicri:regionArea><placeName><settlement type="city">Madrid</settlement><region nuts="2" type="region">Communauté de Madrid</region></placeName></affiliation><affiliation wicri:level="3"><nlm:affiliation>Chemical Research Institute "Andrés M. del Río" (IQAR), Universidad de Alcalá, 28871 Alcalá de Henares, Madrid, Spain.</nlm:affiliation><country xml:lang="fr">Espagne</country><wicri:regionArea>Chemical Research Institute "Andrés M. del Río" (IQAR), Universidad de Alcalá, 28871 Alcalá de Henares, Madrid</wicri:regionArea><placeName><settlement type="city">Madrid</settlement><region nuts="2" type="region">Communauté de Madrid</region></placeName></affiliation></author><author><name sortKey="Barone, Giampaolo" sort="Barone, Giampaolo" uniqKey="Barone G" first="Giampaolo" last="Barone">Giampaolo Barone</name><affiliation wicri:level="4"><nlm:affiliation>Department of Biological, Chemical and Pharmaceutical Sciences and Technologies, Università degli Studi di Palermo, Viale delle Scienze, 90128 Palermo, Italy.</nlm:affiliation><country xml:lang="fr">Italie</country><wicri:regionArea>Department of Biological, Chemical and Pharmaceutical Sciences and Technologies, Università degli Studi di Palermo, Viale delle Scienze, 90128 Palermo</wicri:regionArea><orgName type="university">Université de Palerme</orgName><placeName><settlement type="city">Palerme</settlement><region type="region" nuts="2">Sicile</region></placeName></affiliation></author><author><name sortKey="Monari, Antonio" sort="Monari, Antonio" uniqKey="Monari A" first="Antonio" last="Monari">Antonio Monari</name><affiliation wicri:level="3"><nlm:affiliation>Université de Lorraine and CNRS, LPCT UMR 7019, F-54000 Nancy, France.</nlm:affiliation><country xml:lang="fr">France</country><wicri:regionArea>Université de Lorraine and CNRS, LPCT UMR 7019, F-54000 Nancy</wicri:regionArea><placeName><region type="region" nuts="2">Grand Est</region><region type="old region" nuts="2">Lorraine (région)</region><settlement type="city">Nancy</settlement></placeName></affiliation></author></analytic><series><title level="j">The journal of physical chemistry letters</title><idno type="eISSN">1948-7185</idno><imprint><date when="2020" type="published">2020</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Betacoronavirus (chemistry)</term><term>Betacoronavirus (drug effects)</term><term>Betacoronavirus (genetics)</term><term>Coronavirus Infections (virology)</term><term>Dimerization (MeSH)</term><term>G-Quadruplexes (drug effects)</term><term>Humans (MeSH)</term><term>Models, Molecular (MeSH)</term><term>Molecular Dynamics Simulation (MeSH)</term><term>Pandemics (MeSH)</term><term>Pneumonia, Viral (virology)</term><term>Protein Binding (MeSH)</term><term>RNA, Viral (chemistry)</term><term>RNA, Viral (genetics)</term><term>Spike Glycoprotein, Coronavirus (chemistry)</term><term>Spike Glycoprotein, Coronavirus (genetics)</term></keywords><keywords scheme="KwdFr" xml:lang="fr"><term>ARN viral (composition chimique)</term><term>ARN viral (génétique)</term><term>Betacoronavirus (composition chimique)</term><term>Betacoronavirus (effets des médicaments et des substances chimiques)</term><term>Betacoronavirus (génétique)</term><term>Dimérisation (MeSH)</term><term>G-quadruplexes (effets des médicaments et des substances chimiques)</term><term>Glycoprotéine de spicule des coronavirus (composition chimique)</term><term>Glycoprotéine de spicule des coronavirus (génétique)</term><term>Humains (MeSH)</term><term>Infections à coronavirus (virologie)</term><term>Liaison aux protéines (MeSH)</term><term>Modèles moléculaires (MeSH)</term><term>Pandémies (MeSH)</term><term>Pneumopathie virale (virologie)</term><term>Simulation de dynamique moléculaire (MeSH)</term></keywords><keywords scheme="MESH" type="chemical" qualifier="chemistry" xml:lang="en"><term>RNA, Viral</term><term>Spike Glycoprotein, Coronavirus</term></keywords><keywords scheme="MESH" qualifier="chemistry" xml:lang="en"><term>Betacoronavirus</term></keywords><keywords scheme="MESH" qualifier="composition chimique" xml:lang="fr"><term>ARN viral</term><term>Betacoronavirus</term><term>Glycoprotéine de spicule des coronavirus</term></keywords><keywords scheme="MESH" qualifier="drug effects" xml:lang="en"><term>Betacoronavirus</term><term>G-Quadruplexes</term></keywords><keywords scheme="MESH" qualifier="effets des médicaments et des substances chimiques" xml:lang="fr"><term>Betacoronavirus</term><term>G-quadruplexes</term></keywords><keywords scheme="MESH" qualifier="genetics" xml:lang="en"><term>Betacoronavirus</term><term>RNA, Viral</term><term>Spike Glycoprotein, Coronavirus</term></keywords><keywords scheme="MESH" qualifier="génétique" xml:lang="fr"><term>ARN viral</term><term>Betacoronavirus</term><term>Glycoprotéine de spicule des coronavirus</term></keywords><keywords scheme="MESH" qualifier="virologie" xml:lang="fr"><term>Infections à coronavirus</term><term>Pneumopathie virale</term></keywords><keywords scheme="MESH" qualifier="virology" xml:lang="en"><term>Coronavirus Infections</term><term>Pneumonia, Viral</term></keywords><keywords scheme="MESH" xml:lang="en"><term>Dimerization</term><term>Humans</term><term>Models, Molecular</term><term>Molecular Dynamics Simulation</term><term>Pandemics</term><term>Protein Binding</term></keywords><keywords scheme="MESH" xml:lang="fr"><term>Dimérisation</term><term>Humains</term><term>Liaison aux protéines</term><term>Modèles moléculaires</term><term>Pandémies</term><term>Simulation de dynamique moléculaire</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">Coronaviruses may produce severe acute respiratory syndrome (SARS). As a matter of fact, a new SARS-type virus, SARS-CoV-2, is responsible for the global pandemic in 2020 with unprecedented sanitary and economic consequences for most countries. In the present contribution we study, by all-atom equilibrium and enhanced sampling molecular dynamics simulations, the interaction between the SARS Unique Domain and RNA guanine quadruplexes, a process involved in eluding the defensive response of the host thus favoring viral infection of human cells. Our results evidence two stable binding modes involving an interaction site spanning either the protein dimer interface or only one monomer. The free energy profile unequivocally points to the dimer mode as the thermodynamically favored one. The effect of these binding modes in stabilizing the protein dimer was also assessed, being related to its biological role in assisting the SARS viruses to bypass the host protective response. This work also constitutes a first step in the possible rational design of efficient therapeutic agents aiming at perturbing the interaction between SARS Unique Domain and guanine quadruplexes, hence enhancing the host defenses against the virus.</div></front></TEI><pubmed><MedlineCitation Status="MEDLINE" Owner="NLM"><PMID Version="1">32536162</PMID><DateCompleted><Year>2020</Year><Month>07</Month><Day>23</Day></DateCompleted><DateRevised><Year>2020</Year><Month>07</Month><Day>23</Day></DateRevised><Article PubModel="Print-Electronic"><Journal><ISSN IssnType="Electronic">1948-7185</ISSN><JournalIssue CitedMedium="Internet"><Volume>11</Volume><Issue>14</Issue><PubDate><Year>2020</Year><Month>Jul</Month><Day>16</Day></PubDate></JournalIssue><Title>The journal of physical chemistry letters</Title><ISOAbbreviation>J Phys Chem Lett</ISOAbbreviation></Journal><ArticleTitle>Role of RNA Guanine Quadruplexes in Favoring the Dimerization of SARS Unique Domain in Coronaviruses.</ArticleTitle><Pagination><MedlinePgn>5661-5667</MedlinePgn></Pagination><ELocationID EIdType="doi" ValidYN="Y">10.1021/acs.jpclett.0c01097</ELocationID><Abstract><AbstractText>Coronaviruses may produce severe acute respiratory syndrome (SARS). As a matter of fact, a new SARS-type virus, SARS-CoV-2, is responsible for the global pandemic in 2020 with unprecedented sanitary and economic consequences for most countries. In the present contribution we study, by all-atom equilibrium and enhanced sampling molecular dynamics simulations, the interaction between the SARS Unique Domain and RNA guanine quadruplexes, a process involved in eluding the defensive response of the host thus favoring viral infection of human cells. Our results evidence two stable binding modes involving an interaction site spanning either the protein dimer interface or only one monomer. The free energy profile unequivocally points to the dimer mode as the thermodynamically favored one. The effect of these binding modes in stabilizing the protein dimer was also assessed, being related to its biological role in assisting the SARS viruses to bypass the host protective response. This work also constitutes a first step in the possible rational design of efficient therapeutic agents aiming at perturbing the interaction between SARS Unique Domain and guanine quadruplexes, hence enhancing the host defenses against the virus.</AbstractText></Abstract><AuthorList CompleteYN="Y"><Author ValidYN="Y"><LastName>Hognon</LastName><ForeName>Cécilia</ForeName><Initials>C</Initials><AffiliationInfo><Affiliation>Université de Lorraine and CNRS, LPCT UMR 7019, F-54000 Nancy, France.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Miclot</LastName><ForeName>Tom</ForeName><Initials>T</Initials><AffiliationInfo><Affiliation>Université de Lorraine and CNRS, LPCT UMR 7019, F-54000 Nancy, France.</Affiliation></AffiliationInfo><AffiliationInfo><Affiliation>Department of Biological, Chemical and Pharmaceutical Sciences and Technologies, Università degli Studi di Palermo, Viale delle Scienze, 90128 Palermo, Italy.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Garcı A-Iriepa</LastName><ForeName>Cristina</ForeName><Initials>C</Initials><Identifier Source="ORCID">http://orcid.org/0000-0002-7577-8242</Identifier><AffiliationInfo><Affiliation>Department of Analytical Chemistry, Physical Chemistry and Chemical Engineering, Universidad de Alcalá, Ctra. Madrid-Barcelona, Km 33,600, 28871 Alcalá de Henares, Madrid, Spain.</Affiliation></AffiliationInfo><AffiliationInfo><Affiliation>Chemical Research Institute "Andrés M. del Río" (IQAR), Universidad de Alcalá, 28871 Alcalá de Henares, Madrid, Spain.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Francés-Monerris</LastName><ForeName>Antonio</ForeName><Initials>A</Initials><Identifier Source="ORCID">http://orcid.org/0000-0001-8232-4989</Identifier><AffiliationInfo><Affiliation>Université de Lorraine and CNRS, LPCT UMR 7019, F-54000 Nancy, France.</Affiliation></AffiliationInfo><AffiliationInfo><Affiliation>Departament de Química Física, Universitat de València, 46100 Burjassot, Spain.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Grandemange</LastName><ForeName>Stephanie</ForeName><Initials>S</Initials><AffiliationInfo><Affiliation>Université de Lorraine and CNRS, CRAN UMR 7039, F-54000 Nancy, France.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Terenzi</LastName><ForeName>Alessio</ForeName><Initials>A</Initials><Identifier Source="ORCID">http://orcid.org/0000-0001-9751-1373</Identifier><AffiliationInfo><Affiliation>Department of Biological, Chemical and Pharmaceutical Sciences and Technologies, Università degli Studi di Palermo, Viale delle Scienze, 90128 Palermo, Italy.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Marazzi</LastName><ForeName>Marco</ForeName><Initials>M</Initials><Identifier Source="ORCID">http://orcid.org/0000-0001-7158-7994</Identifier><AffiliationInfo><Affiliation>Department of Analytical Chemistry, Physical Chemistry and Chemical Engineering, Universidad de Alcalá, Ctra. Madrid-Barcelona, Km 33,600, 28871 Alcalá de Henares, Madrid, Spain.</Affiliation></AffiliationInfo><AffiliationInfo><Affiliation>Chemical Research Institute "Andrés M. del Río" (IQAR), Universidad de Alcalá, 28871 Alcalá de Henares, Madrid, Spain.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Barone</LastName><ForeName>Giampaolo</ForeName><Initials>G</Initials><Identifier Source="ORCID">http://orcid.org/0000-0001-8773-2359</Identifier><AffiliationInfo><Affiliation>Department of Biological, Chemical and Pharmaceutical Sciences and Technologies, Università degli Studi di Palermo, Viale delle Scienze, 90128 Palermo, Italy.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Monari</LastName><ForeName>Antonio</ForeName><Initials>A</Initials><Identifier Source="ORCID">http://orcid.org/0000-0001-9464-1463</Identifier><AffiliationInfo><Affiliation>Université de Lorraine and CNRS, LPCT UMR 7019, F-54000 Nancy, France.</Affiliation></AffiliationInfo></Author></AuthorList><Language>eng</Language><PublicationTypeList><PublicationType UI="D016428">Journal Article</PublicationType></PublicationTypeList><ArticleDate DateType="Electronic"><Year>2020</Year><Month>07</Month><Day>02</Day></ArticleDate></Article><MedlineJournalInfo><Country>United States</Country><MedlineTA>J Phys Chem Lett</MedlineTA><NlmUniqueID>101526034</NlmUniqueID><ISSNLinking>1948-7185</ISSNLinking></MedlineJournalInfo><ChemicalList><Chemical><RegistryNumber>0</RegistryNumber><NameOfSubstance UI="D012367">RNA, Viral</NameOfSubstance></Chemical><Chemical><RegistryNumber>0</RegistryNumber><NameOfSubstance UI="D064370">Spike Glycoprotein, Coronavirus</NameOfSubstance></Chemical><Chemical><RegistryNumber>0</RegistryNumber><NameOfSubstance UI="C000657845">spike protein, SARS-CoV-2</NameOfSubstance></Chemical></ChemicalList><SupplMeshList><SupplMeshName Type="Disease" UI="C000657245">COVID-19</SupplMeshName><SupplMeshName Type="Organism" UI="C000656484">severe acute respiratory syndrome coronavirus 2</SupplMeshName></SupplMeshList><CitationSubset>IM</CitationSubset><MeshHeadingList><MeshHeading><DescriptorName UI="D000073640" MajorTopicYN="N">Betacoronavirus</DescriptorName><QualifierName UI="Q000737" MajorTopicYN="Y">chemistry</QualifierName><QualifierName UI="Q000187" MajorTopicYN="N">drug effects</QualifierName><QualifierName UI="Q000235" MajorTopicYN="Y">genetics</QualifierName></MeshHeading><MeshHeading><DescriptorName UI="D018352" MajorTopicYN="N">Coronavirus Infections</DescriptorName><QualifierName UI="Q000821" MajorTopicYN="Y">virology</QualifierName></MeshHeading><MeshHeading><DescriptorName UI="D019281" MajorTopicYN="N">Dimerization</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D054856" MajorTopicYN="N">G-Quadruplexes</DescriptorName><QualifierName UI="Q000187" MajorTopicYN="Y">drug effects</QualifierName></MeshHeading><MeshHeading><DescriptorName UI="D006801" MajorTopicYN="N">Humans</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D008958" MajorTopicYN="N">Models, Molecular</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D056004" MajorTopicYN="N">Molecular Dynamics Simulation</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D058873" MajorTopicYN="N">Pandemics</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D011024" MajorTopicYN="N">Pneumonia, Viral</DescriptorName><QualifierName UI="Q000821" MajorTopicYN="Y">virology</QualifierName></MeshHeading><MeshHeading><DescriptorName UI="D011485" MajorTopicYN="N">Protein Binding</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D012367" MajorTopicYN="N">RNA, Viral</DescriptorName><QualifierName UI="Q000737" MajorTopicYN="Y">chemistry</QualifierName><QualifierName UI="Q000235" MajorTopicYN="Y">genetics</QualifierName></MeshHeading><MeshHeading><DescriptorName UI="D064370" MajorTopicYN="N">Spike Glycoprotein, Coronavirus</DescriptorName><QualifierName UI="Q000737" MajorTopicYN="N">chemistry</QualifierName><QualifierName UI="Q000235" MajorTopicYN="N">genetics</QualifierName></MeshHeading></MeshHeadingList></MedlineCitation><PubmedData><History><PubMedPubDate PubStatus="pubmed"><Year>2020</Year><Month>6</Month><Day>17</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="medline"><Year>2020</Year><Month>7</Month><Day>24</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="entrez"><Year>2020</Year><Month>6</Month><Day>16</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate></History><PublicationStatus>ppublish</PublicationStatus><ArticleIdList><ArticleId IdType="pubmed">32536162</ArticleId><ArticleId IdType="doi">10.1021/acs.jpclett.0c01097</ArticleId><ArticleId IdType="pmc">PMC7331935</ArticleId></ArticleIdList></PubmedData></pubmed><affiliations><list><country><li>Espagne</li><li>France</li><li>Italie</li></country><region><li>Communauté de Madrid</li><li>Communauté valencienne</li><li>Grand Est</li><li>Lorraine (région)</li><li>Sicile</li></region><settlement><li>Madrid</li><li>Nancy</li><li>Palerme</li></settlement><orgName><li>Université de Palerme</li></orgName></list><tree><country name="France"><region name="Grand Est"><name sortKey="Hognon, Cecilia" sort="Hognon, Cecilia" uniqKey="Hognon C" first="Cécilia" last="Hognon">Cécilia Hognon</name></region><name sortKey="Frances Monerris, Antonio" sort="Frances Monerris, Antonio" uniqKey="Frances Monerris A" first="Antonio" last="Francés-Monerris">Antonio Francés-Monerris</name><name sortKey="Grandemange, Stephanie" sort="Grandemange, Stephanie" uniqKey="Grandemange S" first="Stephanie" last="Grandemange">Stephanie Grandemange</name><name sortKey="Miclot, Tom" sort="Miclot, Tom" uniqKey="Miclot T" first="Tom" last="Miclot">Tom Miclot</name><name sortKey="Monari, Antonio" sort="Monari, Antonio" uniqKey="Monari A" first="Antonio" last="Monari">Antonio Monari</name></country><country name="Italie"><region name="Sicile"><name sortKey="Miclot, Tom" sort="Miclot, Tom" uniqKey="Miclot T" first="Tom" last="Miclot">Tom Miclot</name></region><name sortKey="Barone, Giampaolo" sort="Barone, Giampaolo" uniqKey="Barone G" first="Giampaolo" last="Barone">Giampaolo Barone</name><name sortKey="Terenzi, Alessio" sort="Terenzi, Alessio" uniqKey="Terenzi A" first="Alessio" last="Terenzi">Alessio Terenzi</name></country><country name="Espagne"><region name="Communauté de Madrid"><name sortKey="Garc A Iriepa, Cristina" sort="Garc A Iriepa, Cristina" uniqKey="Garc A Iriepa C" first="Cristina" last="Garc A-Iriepa">Cristina Garc A-Iriepa</name></region><name sortKey="Frances Monerris, Antonio" sort="Frances Monerris, Antonio" uniqKey="Frances Monerris A" first="Antonio" last="Francés-Monerris">Antonio Francés-Monerris</name><name sortKey="Garc A Iriepa, Cristina" sort="Garc A Iriepa, Cristina" uniqKey="Garc A Iriepa C" first="Cristina" last="Garc A-Iriepa">Cristina Garc A-Iriepa</name><name sortKey="Marazzi, Marco" sort="Marazzi, Marco" uniqKey="Marazzi M" first="Marco" last="Marazzi">Marco Marazzi</name><name sortKey="Marazzi, Marco" sort="Marazzi, Marco" uniqKey="Marazzi M" first="Marco" last="Marazzi">Marco Marazzi</name></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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