CovidChloroV1, Main, Exploration, bibRecord, 000333

Molecular designing, crystal structure determination and in silico screening of copper(II) complexes bearing 8-hydroxyquinoline derivatives as anti-COVID-19.

Identifieur interne : 000333 ( Main/Exploration ); précédent : 000332; suivant : 000334

Molecular designing, crystal structure determination and in silico screening of copper(II) complexes bearing 8-hydroxyquinoline derivatives as anti-COVID-19.

Auteurs : Arif Ali [Inde] ; Nasim Sepay [Inde] ; Mohd Afzal [Arabie saoudite] ; Nayim Sepay [Inde] ; Abdullah Alarifi [Arabie saoudite] ; M. Shahid [Inde] ; Musheer Ahmad [Inde]

Source :

Bioorganic chemistry [ 1090-2120 ] ; 2021.

RBID : pubmed:33676041

Descripteurs français

English descriptors

KwdEn :
- Antiviral Agents (MeSH), COVID-19 (virology), Computer Simulation (MeSH), Coordination Complexes (chemistry), Copper (chemistry), Crystallography, X-Ray (MeSH), Drug Design (MeSH), Humans (MeSH), Molecular Docking Simulation (MeSH), Molecular Structure (MeSH), Oxyquinoline (chemistry), SARS-CoV-2 (drug effects).
MESH :
- chemical , chemistry : Coordination Complexes, Copper, Oxyquinoline.
- chemical : Antiviral Agents.
- drug effects : SARS-CoV-2.
- virology : COVID-19.
- Computer Simulation, Crystallography, X-Ray, Drug Design, Humans, Molecular Docking Simulation, Molecular Structure.

Abstract

The pandemic by COVID-19 is hampering everything on the earth including physical and mental health, daily life and global economy. At the moment, there are no defined drugs, while few vaccines are available in the market to combat SARS-CoV-2. Several organic molecules were designed and tested against the virus but they did not show promising activity. In this work we designed two copper complexes from the ligands analogues with chloroquine and hydroxychloroquine. Both the ligands and complexes were well characterized by using various spectroscopic, thermal and X-ray diffraction techniques. Both the complexes as well as ligands were screened through in silico method with the chloroquine and hydroxychloroquine which essentially proved pivotal for successful understanding towards the target protein and their mechanism of action. The results indicated that the balanced hydrophobic and polar groups in the complexes favor their binding in the active site of the viral ADP-ribose-1 monophosphatase enzyme over the parent organic molecules.

DOI: 10.1016/j.bioorg.2021.104772
PubMed: 33676041
PubMed Central: PMC7902223

Affiliations:

Arabie saoudite, Inde

Links toward previous steps (curation, corpus...)

to stream Main, to step Corpus: 000270
to stream Main, to step Curation: 000270

Le document en format XML

<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Molecular designing, crystal structure determination and in silico screening of copper(II) complexes bearing 8-hydroxyquinoline derivatives as anti-COVID-19.</title>
<author><name sortKey="Ali, Arif" sort="Ali, Arif" uniqKey="Ali A" first="Arif" last="Ali">Arif Ali</name>
<affiliation wicri:level="1"><nlm:affiliation>Department of Applied Chemistry, ZHCET, Faculty of Engineering and Technology, Aligarh Muslim University, Aligarh 202002, India.</nlm:affiliation>
<country xml:lang="fr">Inde</country>
<wicri:regionArea>Department of Applied Chemistry, ZHCET, Faculty of Engineering and Technology, Aligarh Muslim University, Aligarh 202002</wicri:regionArea>
<wicri:noRegion>Aligarh 202002</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Sepay, Nasim" sort="Sepay, Nasim" uniqKey="Sepay N" first="Nasim" last="Sepay">Nasim Sepay</name>
<affiliation wicri:level="1"><nlm:affiliation>Department of Chemistry, Presidency University, Kolkata 700 073, India.</nlm:affiliation>
<country xml:lang="fr">Inde</country>
<wicri:regionArea>Department of Chemistry, Presidency University, Kolkata 700 073</wicri:regionArea>
<wicri:noRegion>Kolkata 700 073</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Afzal, Mohd" sort="Afzal, Mohd" uniqKey="Afzal M" first="Mohd" last="Afzal">Mohd Afzal</name>
<affiliation wicri:level="1"><nlm:affiliation>Department of Chemistry, College of Science, King Saud University, Riyadh 11451, Saudi Arabia.</nlm:affiliation>
<country xml:lang="fr">Arabie saoudite</country>
<wicri:regionArea>Department of Chemistry, College of Science, King Saud University, Riyadh 11451</wicri:regionArea>
<wicri:noRegion>Riyadh 11451</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Sepay, Nayim" sort="Sepay, Nayim" uniqKey="Sepay N" first="Nayim" last="Sepay">Nayim Sepay</name>
<affiliation wicri:level="1"><nlm:affiliation>Department of Chemistry, Jadavpur University, Kolkata 700 032, India. Electronic address: nayimsepay@yahoo.com.</nlm:affiliation>
<country xml:lang="fr">Inde</country>
<wicri:regionArea>Department of Chemistry, Jadavpur University, Kolkata 700 032</wicri:regionArea>
<wicri:noRegion>Kolkata 700 032</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Alarifi, Abdullah" sort="Alarifi, Abdullah" uniqKey="Alarifi A" first="Abdullah" last="Alarifi">Abdullah Alarifi</name>
<affiliation wicri:level="1"><nlm:affiliation>Department of Chemistry, College of Science, King Saud University, Riyadh 11451, Saudi Arabia.</nlm:affiliation>
<country xml:lang="fr">Arabie saoudite</country>
<wicri:regionArea>Department of Chemistry, College of Science, King Saud University, Riyadh 11451</wicri:regionArea>
<wicri:noRegion>Riyadh 11451</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Shahid, M" sort="Shahid, M" uniqKey="Shahid M" first="M" last="Shahid">M. Shahid</name>
<affiliation wicri:level="1"><nlm:affiliation>Functional Inorganic Materials Lab (FIML), Department of Chemistry, Aligarh Muslim University, Aligarh 202002, India.</nlm:affiliation>
<country xml:lang="fr">Inde</country>
<wicri:regionArea>Functional Inorganic Materials Lab (FIML), Department of Chemistry, Aligarh Muslim University, Aligarh 202002</wicri:regionArea>
<wicri:noRegion>Aligarh 202002</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Ahmad, Musheer" sort="Ahmad, Musheer" uniqKey="Ahmad M" first="Musheer" last="Ahmad">Musheer Ahmad</name>
<affiliation wicri:level="1"><nlm:affiliation>Department of Applied Chemistry, ZHCET, Faculty of Engineering and Technology, Aligarh Muslim University, Aligarh 202002, India. Electronic address: amusheer4@gmail.com.</nlm:affiliation>
<country xml:lang="fr">Inde</country>
<wicri:regionArea>Department of Applied Chemistry, ZHCET, Faculty of Engineering and Technology, Aligarh Muslim University, Aligarh 202002</wicri:regionArea>
<wicri:noRegion>Aligarh 202002</wicri:noRegion>
</affiliation>
</author>
</titleStmt>
<publicationStmt><idno type="wicri:source">PubMed</idno>
<date when="2021">2021</date>
<idno type="RBID">pubmed:33676041</idno>
<idno type="pmid">33676041</idno>
<idno type="doi">10.1016/j.bioorg.2021.104772</idno>
<idno type="pmc">PMC7902223</idno>
<idno type="wicri:Area/Main/Corpus">000270</idno>
<idno type="wicri:explorRef" wicri:stream="Main" wicri:step="Corpus" wicri:corpus="PubMed">000270</idno>
<idno type="wicri:Area/Main/Curation">000270</idno>
<idno type="wicri:explorRef" wicri:stream="Main" wicri:step="Curation">000270</idno>
<idno type="wicri:Area/Main/Exploration">000270</idno>
</publicationStmt>
<sourceDesc><biblStruct><analytic><title xml:lang="en">Molecular designing, crystal structure determination and in silico screening of copper(II) complexes bearing 8-hydroxyquinoline derivatives as anti-COVID-19.</title>
<author><name sortKey="Ali, Arif" sort="Ali, Arif" uniqKey="Ali A" first="Arif" last="Ali">Arif Ali</name>
<affiliation wicri:level="1"><nlm:affiliation>Department of Applied Chemistry, ZHCET, Faculty of Engineering and Technology, Aligarh Muslim University, Aligarh 202002, India.</nlm:affiliation>
<country xml:lang="fr">Inde</country>
<wicri:regionArea>Department of Applied Chemistry, ZHCET, Faculty of Engineering and Technology, Aligarh Muslim University, Aligarh 202002</wicri:regionArea>
<wicri:noRegion>Aligarh 202002</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Sepay, Nasim" sort="Sepay, Nasim" uniqKey="Sepay N" first="Nasim" last="Sepay">Nasim Sepay</name>
<affiliation wicri:level="1"><nlm:affiliation>Department of Chemistry, Presidency University, Kolkata 700 073, India.</nlm:affiliation>
<country xml:lang="fr">Inde</country>
<wicri:regionArea>Department of Chemistry, Presidency University, Kolkata 700 073</wicri:regionArea>
<wicri:noRegion>Kolkata 700 073</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Afzal, Mohd" sort="Afzal, Mohd" uniqKey="Afzal M" first="Mohd" last="Afzal">Mohd Afzal</name>
<affiliation wicri:level="1"><nlm:affiliation>Department of Chemistry, College of Science, King Saud University, Riyadh 11451, Saudi Arabia.</nlm:affiliation>
<country xml:lang="fr">Arabie saoudite</country>
<wicri:regionArea>Department of Chemistry, College of Science, King Saud University, Riyadh 11451</wicri:regionArea>
<wicri:noRegion>Riyadh 11451</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Sepay, Nayim" sort="Sepay, Nayim" uniqKey="Sepay N" first="Nayim" last="Sepay">Nayim Sepay</name>
<affiliation wicri:level="1"><nlm:affiliation>Department of Chemistry, Jadavpur University, Kolkata 700 032, India. Electronic address: nayimsepay@yahoo.com.</nlm:affiliation>
<country xml:lang="fr">Inde</country>
<wicri:regionArea>Department of Chemistry, Jadavpur University, Kolkata 700 032</wicri:regionArea>
<wicri:noRegion>Kolkata 700 032</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Alarifi, Abdullah" sort="Alarifi, Abdullah" uniqKey="Alarifi A" first="Abdullah" last="Alarifi">Abdullah Alarifi</name>
<affiliation wicri:level="1"><nlm:affiliation>Department of Chemistry, College of Science, King Saud University, Riyadh 11451, Saudi Arabia.</nlm:affiliation>
<country xml:lang="fr">Arabie saoudite</country>
<wicri:regionArea>Department of Chemistry, College of Science, King Saud University, Riyadh 11451</wicri:regionArea>
<wicri:noRegion>Riyadh 11451</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Shahid, M" sort="Shahid, M" uniqKey="Shahid M" first="M" last="Shahid">M. Shahid</name>
<affiliation wicri:level="1"><nlm:affiliation>Functional Inorganic Materials Lab (FIML), Department of Chemistry, Aligarh Muslim University, Aligarh 202002, India.</nlm:affiliation>
<country xml:lang="fr">Inde</country>
<wicri:regionArea>Functional Inorganic Materials Lab (FIML), Department of Chemistry, Aligarh Muslim University, Aligarh 202002</wicri:regionArea>
<wicri:noRegion>Aligarh 202002</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Ahmad, Musheer" sort="Ahmad, Musheer" uniqKey="Ahmad M" first="Musheer" last="Ahmad">Musheer Ahmad</name>
<affiliation wicri:level="1"><nlm:affiliation>Department of Applied Chemistry, ZHCET, Faculty of Engineering and Technology, Aligarh Muslim University, Aligarh 202002, India. Electronic address: amusheer4@gmail.com.</nlm:affiliation>
<country xml:lang="fr">Inde</country>
<wicri:regionArea>Department of Applied Chemistry, ZHCET, Faculty of Engineering and Technology, Aligarh Muslim University, Aligarh 202002</wicri:regionArea>
<wicri:noRegion>Aligarh 202002</wicri:noRegion>
</affiliation>
</author>
</analytic>
<series><title level="j">Bioorganic chemistry</title>
<idno type="eISSN">1090-2120</idno>
<imprint><date when="2021" type="published">2021</date>
</imprint>
</series>
</biblStruct>
</sourceDesc>
</fileDesc>
<profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Antiviral Agents (MeSH)</term>
<term>COVID-19 (virology)</term>
<term>Computer Simulation (MeSH)</term>
<term>Coordination Complexes (chemistry)</term>
<term>Copper (chemistry)</term>
<term>Crystallography, X-Ray (MeSH)</term>
<term>Drug Design (MeSH)</term>
<term>Humans (MeSH)</term>
<term>Molecular Docking Simulation (MeSH)</term>
<term>Molecular Structure (MeSH)</term>
<term>Oxyquinoline (chemistry)</term>
<term>SARS-CoV-2 (drug effects)</term>
</keywords>
<keywords scheme="KwdFr" xml:lang="fr"><term>Antiviraux (MeSH)</term>
<term>Complexes de coordination (composition chimique)</term>
<term>Conception de médicament (MeSH)</term>
<term>Cristallographie aux rayons X (MeSH)</term>
<term>Cuivre (composition chimique)</term>
<term>Humains (MeSH)</term>
<term>Hydroxy-8 quinoléine (composition chimique)</term>
<term>Simulation de docking moléculaire (MeSH)</term>
<term>Simulation numérique (MeSH)</term>
<term>Structure moléculaire (MeSH)</term>
</keywords>
<keywords scheme="MESH" type="chemical" qualifier="chemistry" xml:lang="en"><term>Coordination Complexes</term>
<term>Copper</term>
<term>Oxyquinoline</term>
</keywords>
<keywords scheme="MESH" type="chemical" xml:lang="en"><term>Antiviral Agents</term>
</keywords>
<keywords scheme="MESH" qualifier="composition chimique" xml:lang="fr"><term>Complexes de coordination</term>
<term>Cuivre</term>
<term>Hydroxy-8 quinoléine</term>
</keywords>
<keywords scheme="MESH" qualifier="drug effects" xml:lang="en"><term>SARS-CoV-2</term>
</keywords>
<keywords scheme="MESH" qualifier="virology" xml:lang="en"><term>COVID-19</term>
</keywords>
<keywords scheme="MESH" xml:lang="en"><term>Computer Simulation</term>
<term>Crystallography, X-Ray</term>
<term>Drug Design</term>
<term>Humans</term>
<term>Molecular Docking Simulation</term>
<term>Molecular Structure</term>
</keywords>
<keywords scheme="MESH" xml:lang="fr"><term>Antiviraux</term>
<term>Conception de médicament</term>
<term>Cristallographie aux rayons X</term>
<term>Humains</term>
<term>Simulation de docking moléculaire</term>
<term>Simulation numérique</term>
<term>Structure moléculaire</term>
</keywords>
</textClass>
</profileDesc>
</teiHeader>
<front><div type="abstract" xml:lang="en">The pandemic by COVID-19 is hampering everything on the earth including physical and mental health, daily life and global economy. At the moment, there are no defined drugs, while few vaccines are available in the market to combat SARS-CoV-2. Several organic molecules were designed and tested against the virus but they did not show promising activity. In this work we designed two copper complexes from the ligands analogues with chloroquine and hydroxychloroquine. Both the ligands and complexes were well characterized by using various spectroscopic, thermal and X-ray diffraction techniques. Both the complexes as well as ligands were screened through in silico method with the chloroquine and hydroxychloroquine which essentially proved pivotal for successful understanding towards the target protein and their mechanism of action. The results indicated that the balanced hydrophobic and polar groups in the complexes favor their binding in the active site of the viral ADP-ribose-1 monophosphatase enzyme over the parent organic molecules.</div>
</front>
</TEI>
<pubmed><MedlineCitation Status="MEDLINE" Owner="NLM"><PMID Version="1">33676041</PMID>
<DateCompleted><Year>2021</Year>
<Month>05</Month>
<Day>10</Day>
</DateCompleted>
<DateRevised><Year>2021</Year>
<Month>05</Month>
<Day>10</Day>
</DateRevised>
<Article PubModel="Print-Electronic"><Journal><ISSN IssnType="Electronic">1090-2120</ISSN>
<JournalIssue CitedMedium="Internet"><Volume>110</Volume>
<PubDate><Year>2021</Year>
<Month>05</Month>
</PubDate>
</JournalIssue>
<Title>Bioorganic chemistry</Title>
<ISOAbbreviation>Bioorg Chem</ISOAbbreviation>
</Journal>
<ArticleTitle>Molecular designing, crystal structure determination and in silico screening of copper(II) complexes bearing 8-hydroxyquinoline derivatives as anti-COVID-19.</ArticleTitle>
<Pagination><MedlinePgn>104772</MedlinePgn>
</Pagination>
<ELocationID EIdType="pii" ValidYN="Y">S0045-2068(21)00149-8</ELocationID>
<ELocationID EIdType="doi" ValidYN="Y">10.1016/j.bioorg.2021.104772</ELocationID>
<Abstract><AbstractText>The pandemic by COVID-19 is hampering everything on the earth including physical and mental health, daily life and global economy. At the moment, there are no defined drugs, while few vaccines are available in the market to combat SARS-CoV-2. Several organic molecules were designed and tested against the virus but they did not show promising activity. In this work we designed two copper complexes from the ligands analogues with chloroquine and hydroxychloroquine. Both the ligands and complexes were well characterized by using various spectroscopic, thermal and X-ray diffraction techniques. Both the complexes as well as ligands were screened through in silico method with the chloroquine and hydroxychloroquine which essentially proved pivotal for successful understanding towards the target protein and their mechanism of action. The results indicated that the balanced hydrophobic and polar groups in the complexes favor their binding in the active site of the viral ADP-ribose-1 monophosphatase enzyme over the parent organic molecules.</AbstractText>
<CopyrightInformation>Copyright © 2021 Elsevier Inc. All rights reserved.</CopyrightInformation>
</Abstract>
<AuthorList CompleteYN="Y"><Author ValidYN="Y"><LastName>Ali</LastName>
<ForeName>Arif</ForeName>
<Initials>A</Initials>
<AffiliationInfo><Affiliation>Department of Applied Chemistry, ZHCET, Faculty of Engineering and Technology, Aligarh Muslim University, Aligarh 202002, India.</Affiliation>
</AffiliationInfo>
</Author>
<Author ValidYN="Y"><LastName>Sepay</LastName>
<ForeName>Nasim</ForeName>
<Initials>N</Initials>
<AffiliationInfo><Affiliation>Department of Chemistry, Presidency University, Kolkata 700 073, India.</Affiliation>
</AffiliationInfo>
</Author>
<Author ValidYN="Y"><LastName>Afzal</LastName>
<ForeName>Mohd</ForeName>
<Initials>M</Initials>
<AffiliationInfo><Affiliation>Department of Chemistry, College of Science, King Saud University, Riyadh 11451, Saudi Arabia.</Affiliation>
</AffiliationInfo>
</Author>
<Author ValidYN="Y"><LastName>Sepay</LastName>
<ForeName>Nayim</ForeName>
<Initials>N</Initials>
<AffiliationInfo><Affiliation>Department of Chemistry, Jadavpur University, Kolkata 700 032, India. Electronic address: nayimsepay@yahoo.com.</Affiliation>
</AffiliationInfo>
</Author>
<Author ValidYN="Y"><LastName>Alarifi</LastName>
<ForeName>Abdullah</ForeName>
<Initials>A</Initials>
<AffiliationInfo><Affiliation>Department of Chemistry, College of Science, King Saud University, Riyadh 11451, Saudi Arabia.</Affiliation>
</AffiliationInfo>
</Author>
<Author ValidYN="Y"><LastName>Shahid</LastName>
<ForeName>M</ForeName>
<Initials>M</Initials>
<AffiliationInfo><Affiliation>Functional Inorganic Materials Lab (FIML), Department of Chemistry, Aligarh Muslim University, Aligarh 202002, India.</Affiliation>
</AffiliationInfo>
</Author>
<Author ValidYN="Y"><LastName>Ahmad</LastName>
<ForeName>Musheer</ForeName>
<Initials>M</Initials>
<AffiliationInfo><Affiliation>Department of Applied Chemistry, ZHCET, Faculty of Engineering and Technology, Aligarh Muslim University, Aligarh 202002, India. Electronic address: amusheer4@gmail.com.</Affiliation>
</AffiliationInfo>
</Author>
</AuthorList>
<Language>eng</Language>
<PublicationTypeList><PublicationType UI="D016428">Journal Article</PublicationType>
<PublicationType UI="D013485">Research Support, Non-U.S. Gov't</PublicationType>
</PublicationTypeList>
<ArticleDate DateType="Electronic"><Year>2021</Year>
<Month>02</Month>
<Day>24</Day>
</ArticleDate>
</Article>
<MedlineJournalInfo><Country>United States</Country>
<MedlineTA>Bioorg Chem</MedlineTA>
<NlmUniqueID>1303703</NlmUniqueID>
<ISSNLinking>0045-2068</ISSNLinking>
</MedlineJournalInfo>
<ChemicalList><Chemical><RegistryNumber>0</RegistryNumber>
<NameOfSubstance UI="D000998">Antiviral Agents</NameOfSubstance>
</Chemical>
<Chemical><RegistryNumber>0</RegistryNumber>
<NameOfSubstance UI="D056831">Coordination Complexes</NameOfSubstance>
</Chemical>
<Chemical><RegistryNumber>5UTX5635HP</RegistryNumber>
<NameOfSubstance UI="D015125">Oxyquinoline</NameOfSubstance>
</Chemical>
<Chemical><RegistryNumber>789U1901C5</RegistryNumber>
<NameOfSubstance UI="D003300">Copper</NameOfSubstance>
</Chemical>
</ChemicalList>
<CitationSubset>IM</CitationSubset>
<MeshHeadingList><MeshHeading><DescriptorName UI="D000998" MajorTopicYN="N">Antiviral Agents</DescriptorName>
</MeshHeading>
<MeshHeading><DescriptorName UI="D000086382" MajorTopicYN="N">COVID-19</DescriptorName>
<QualifierName UI="Q000821" MajorTopicYN="Y">virology</QualifierName>
</MeshHeading>
<MeshHeading><DescriptorName UI="D003198" MajorTopicYN="N">Computer Simulation</DescriptorName>
</MeshHeading>
<MeshHeading><DescriptorName UI="D056831" MajorTopicYN="N">Coordination Complexes</DescriptorName>
<QualifierName UI="Q000737" MajorTopicYN="Y">chemistry</QualifierName>
</MeshHeading>
<MeshHeading><DescriptorName UI="D003300" MajorTopicYN="N">Copper</DescriptorName>
<QualifierName UI="Q000737" MajorTopicYN="Y">chemistry</QualifierName>
</MeshHeading>
<MeshHeading><DescriptorName UI="D018360" MajorTopicYN="N">Crystallography, X-Ray</DescriptorName>
</MeshHeading>
<MeshHeading><DescriptorName UI="D015195" MajorTopicYN="Y">Drug Design</DescriptorName>
</MeshHeading>
<MeshHeading><DescriptorName UI="D006801" MajorTopicYN="N">Humans</DescriptorName>
</MeshHeading>
<MeshHeading><DescriptorName UI="D062105" MajorTopicYN="N">Molecular Docking Simulation</DescriptorName>
</MeshHeading>
<MeshHeading><DescriptorName UI="D015394" MajorTopicYN="N">Molecular Structure</DescriptorName>
</MeshHeading>
<MeshHeading><DescriptorName UI="D015125" MajorTopicYN="N">Oxyquinoline</DescriptorName>
<QualifierName UI="Q000737" MajorTopicYN="Y">chemistry</QualifierName>
</MeshHeading>
<MeshHeading><DescriptorName UI="D000086402" MajorTopicYN="N">SARS-CoV-2</DescriptorName>
<QualifierName UI="Q000187" MajorTopicYN="Y">drug effects</QualifierName>
</MeshHeading>
</MeshHeadingList>
<KeywordList Owner="NOTNLM"><Keyword MajorTopicYN="Y">ADP-ribose-1 monophosphatase enzyme</Keyword>
<Keyword MajorTopicYN="Y">COVID-19</Keyword>
<Keyword MajorTopicYN="Y">Chloroquine</Keyword>
<Keyword MajorTopicYN="Y">Copper complex</Keyword>
<Keyword MajorTopicYN="Y">Hydroxychloroquine</Keyword>
</KeywordList>
</MedlineCitation>
<PubmedData><History><PubMedPubDate PubStatus="received"><Year>2020</Year>
<Month>12</Month>
<Day>05</Day>
</PubMedPubDate>
<PubMedPubDate PubStatus="revised"><Year>2021</Year>
<Month>02</Month>
<Day>06</Day>
</PubMedPubDate>
<PubMedPubDate PubStatus="accepted"><Year>2021</Year>
<Month>02</Month>
<Day>22</Day>
</PubMedPubDate>
<PubMedPubDate PubStatus="pubmed"><Year>2021</Year>
<Month>3</Month>
<Day>7</Day>
<Hour>6</Hour>
<Minute>0</Minute>
</PubMedPubDate>
<PubMedPubDate PubStatus="medline"><Year>2021</Year>
<Month>5</Month>
<Day>11</Day>
<Hour>6</Hour>
<Minute>0</Minute>
</PubMedPubDate>
<PubMedPubDate PubStatus="entrez"><Year>2021</Year>
<Month>3</Month>
<Day>6</Day>
<Hour>20</Hour>
<Minute>12</Minute>
</PubMedPubDate>
</History>
<PublicationStatus>ppublish</PublicationStatus>
<ArticleIdList><ArticleId IdType="pubmed">33676041</ArticleId>
<ArticleId IdType="pii">S0045-2068(21)00149-8</ArticleId>
<ArticleId IdType="doi">10.1016/j.bioorg.2021.104772</ArticleId>
<ArticleId IdType="pmc">PMC7902223</ArticleId>
</ArticleIdList>
</PubmedData>
</pubmed>
<affiliations><list><country><li>Arabie saoudite</li>
<li>Inde</li>
</country>
</list>
<tree><country name="Inde"><noRegion><name sortKey="Ali, Arif" sort="Ali, Arif" uniqKey="Ali A" first="Arif" last="Ali">Arif Ali</name>
</noRegion>
<name sortKey="Ahmad, Musheer" sort="Ahmad, Musheer" uniqKey="Ahmad M" first="Musheer" last="Ahmad">Musheer Ahmad</name>
<name sortKey="Sepay, Nasim" sort="Sepay, Nasim" uniqKey="Sepay N" first="Nasim" last="Sepay">Nasim Sepay</name>
<name sortKey="Sepay, Nayim" sort="Sepay, Nayim" uniqKey="Sepay N" first="Nayim" last="Sepay">Nayim Sepay</name>
<name sortKey="Shahid, M" sort="Shahid, M" uniqKey="Shahid M" first="M" last="Shahid">M. Shahid</name>
</country>
<country name="Arabie saoudite"><noRegion><name sortKey="Afzal, Mohd" sort="Afzal, Mohd" uniqKey="Afzal M" first="Mohd" last="Afzal">Mohd Afzal</name>
</noRegion>
<name sortKey="Alarifi, Abdullah" sort="Alarifi, Abdullah" uniqKey="Alarifi A" first="Abdullah" last="Alarifi">Abdullah Alarifi</name>
</country>
</tree>
</affiliations>
</record>

Pour manipuler ce document sous Unix (Dilib)

EXPLOR_STEP=$WICRI_ROOT/Sante/explor/CovidChloroV1/Data/Main/Exploration

HfdSelect -h $EXPLOR_STEP/biblio.hfd -nk 000333 | SxmlIndent | more

HfdSelect -h $EXPLOR_AREA/Data/Main/Exploration/biblio.hfd -nk 000333 | SxmlIndent | more

Pour mettre un lien sur cette page dans le réseau Wicri

{{Explor lien
   |wiki=    Sante
   |area=    CovidChloroV1
   |flux=    Main
   |étape=   Exploration
   |type=    RBID
   |clé=     pubmed:33676041
   |texte=   Molecular designing, crystal structure determination and in silico screening of copper(II) complexes bearing 8-hydroxyquinoline derivatives as anti-COVID-19.
}}

Pour générer des pages wiki

HfdIndexSelect -h $EXPLOR_AREA/Data/Main/Exploration/RBID.i   -Sk "pubmed:33676041" \
       | HfdSelect -Kh $EXPLOR_AREA/Data/Main/Exploration/biblio.hfd   \
       | NlmPubMed2Wicri -a CovidChloroV1

This area was generated with Dilib version V0.6.38.
Data generation: Sat May 22 17:02:32 2021. Site generation: Sat May 22 17:06:52 2021

	Serveur d'exploration COVID et hydrochloroquine
	Attention, ce site est en cours de développement ! Attention, site généré par des moyens informatiques à partir de corpus bruts. Les informations ne sont donc pas validées.

Serveur d'exploration COVID et hydrochloroquine

Molecular designing, crystal structure determination and in silico screening of copper(II) complexes bearing 8-hydroxyquinoline derivatives as anti-COVID-19.

Molecular designing, crystal structure determination and in silico screening of copper(II) complexes bearing 8-hydroxyquinoline derivatives as anti-COVID-19.

Source :

Descripteurs français

English descriptors

Abstract

Links toward previous steps (curation, corpus...)

Le document en format XML

Pour manipuler ce document sous Unix (Dilib)

Pour mettre un lien sur cette page dans le réseau Wicri

Pour générer des pages wiki