CovidChloroV1, Main, Exploration, bibRecord, 000645

Chloroquine and Hydroxychloroquine Interact Differently with ACE2 Domains Reported to Bind with the Coronavirus Spike Protein: Mediation by ACE2 Polymorphism.

Identifieur interne : 000645 ( Main/Exploration ); précédent : 000644; suivant : 000646

Chloroquine and Hydroxychloroquine Interact Differently with ACE2 Domains Reported to Bind with the Coronavirus Spike Protein: Mediation by ACE2 Polymorphism.

Auteurs : Riadh Badraoui [Arabie saoudite, Tunisie] ; Mohd Adnan [Arabie saoudite] ; Fevzi Bardakci [Arabie saoudite, Turquie] ; Mousa M. Alreshidi [Arabie saoudite]

Source :

Molecules (Basel, Switzerland) [ 1420-3049 ] ; 2021.

RBID : pubmed:33525415

Descripteurs français

KwdFr :
- Chloroquine (composition chimique), Chloroquine (pharmacocinétique), Chloroquine (usage thérapeutique), Domaines protéiques (MeSH), Glycoprotéine de spicule des coronavirus (composition chimique), Glycoprotéine de spicule des coronavirus (métabolisme), Humains (MeSH), Hydroxychloroquine (composition chimique), Hydroxychloroquine (pharmacocinétique), Hydroxychloroquine (usage thérapeutique), Polymorphisme génétique (MeSH), Simulation de docking moléculaire (MeSH).
MESH :
- composition chimique : Chloroquine, Glycoprotéine de spicule des coronavirus, Hydroxychloroquine.
- métabolisme : Glycoprotéine de spicule des coronavirus.
- pharmacocinétique : Chloroquine, Hydroxychloroquine.
- usage thérapeutique : Chloroquine, Hydroxychloroquine.
- Domaines protéiques, Humains, Polymorphisme génétique, Simulation de docking moléculaire.

English descriptors

KwdEn :
- Angiotensin-Converting Enzyme 2 (chemistry), Angiotensin-Converting Enzyme 2 (genetics), Angiotensin-Converting Enzyme 2 (metabolism), COVID-19 (drug therapy), COVID-19 (metabolism), Chloroquine (chemistry), Chloroquine (pharmacokinetics), Chloroquine (therapeutic use), Humans (MeSH), Hydroxychloroquine (chemistry), Hydroxychloroquine (pharmacokinetics), Hydroxychloroquine (therapeutic use), Molecular Docking Simulation (MeSH), Polymorphism, Genetic (MeSH), Protein Domains (MeSH), SARS-CoV-2 (chemistry), SARS-CoV-2 (metabolism), Spike Glycoprotein, Coronavirus (chemistry), Spike Glycoprotein, Coronavirus (metabolism).
MESH :
- chemical , chemistry : Angiotensin-Converting Enzyme 2, Chloroquine, Hydroxychloroquine, Spike Glycoprotein, Coronavirus.
- chemical , genetics : Angiotensin-Converting Enzyme 2.
- chemical , metabolism : Angiotensin-Converting Enzyme 2, Spike Glycoprotein, Coronavirus.
- chemistry : SARS-CoV-2.
- drug therapy : COVID-19.
- metabolism : COVID-19, SARS-CoV-2.
- chemical , pharmacokinetics : Chloroquine, Hydroxychloroquine.
- chemical , therapeutic use : Chloroquine, Hydroxychloroquine.
- Humans, Molecular Docking Simulation, Polymorphism, Genetic, Protein Domains.

Abstract

The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection inducing coronavirus disease 2019 (COVID-19) is still an ongoing challenge. To date, more than 95.4 million have been infected and more than two million deaths have been officially reported by the WHO. Angiotensin-converting enzyme (ACE) plays a key role in the disease pathogenesis. In this computational study, seventeen coding variants were found to be important for ACE2 binding with the coronavirus spike protein. The frequencies of these allele variants range from 3.88 × 10^-3 to 5.47 × 10^-6 for rs4646116 (K26R) and rs1238146879 (P426A), respectively. Chloroquine (CQ) and its metabolite hydroxychloroquine (HCQ) are mainly used to prevent and treat malaria and rheumatic diseases. They are also used in several countries to treat SARS-CoV-2 infection inducing COVID-19. Both CQ and HCQ were found to interact differently with the various ACE2 domains reported to bind with coronavirus spike protein. A molecular docking approach revealed that intermolecular interactions of both CQ and HCQ exhibited mediation by ACE2 polymorphism. Further explorations of the relationship and the interactions between ACE2 polymorphism and CQ/HCQ would certainly help to better understand the COVID-19 management strategies, particularly their use in the absence of specific vaccines or drugs.

DOI: 10.3390/molecules26030673
PubMed: 33525415
PubMed Central: PMC7865913

Affiliations:

Arabie saoudite, Tunisie, Turquie

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

to stream Main, to step Corpus: 000407
to stream Main, to step Curation: 000407

Le document en format XML

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<term>COVID-19 (metabolism)</term>
<term>Chloroquine (chemistry)</term>
<term>Chloroquine (pharmacokinetics)</term>
<term>Chloroquine (therapeutic use)</term>
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<term>Hydroxychloroquine (pharmacokinetics)</term>
<term>Hydroxychloroquine (therapeutic use)</term>
<term>Molecular Docking Simulation (MeSH)</term>
<term>Polymorphism, Genetic (MeSH)</term>
<term>Protein Domains (MeSH)</term>
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<term>SARS-CoV-2 (metabolism)</term>
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<front><div type="abstract" xml:lang="en">The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection inducing coronavirus disease 2019 (COVID-19) is still an ongoing challenge. To date, more than 95.4 million have been infected and more than two million deaths have been officially reported by the WHO. Angiotensin-converting enzyme (ACE) plays a key role in the disease pathogenesis. In this computational study, seventeen coding variants were found to be important for ACE2 binding with the coronavirus spike protein. The frequencies of these allele variants range from 3.88 × 10<sup>-3</sup>
 to 5.47 × 10<sup>-6</sup>
 for rs4646116 (K26R) and rs1238146879 (P426A), respectively. Chloroquine (CQ) and its metabolite hydroxychloroquine (HCQ) are mainly used to prevent and treat malaria and rheumatic diseases. They are also used in several countries to treat SARS-CoV-2 infection inducing COVID-19. Both CQ and HCQ were found to interact differently with the various ACE2 domains reported to bind with coronavirus spike protein. A molecular docking approach revealed that intermolecular interactions of both CQ and HCQ exhibited mediation by ACE2 polymorphism. Further explorations of the relationship and the interactions between ACE2 polymorphism and CQ/HCQ would certainly help to better understand the COVID-19 management strategies, particularly their use in the absence of specific vaccines or drugs.</div>
</front>
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<Abstract><AbstractText>The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection inducing coronavirus disease 2019 (COVID-19) is still an ongoing challenge. To date, more than 95.4 million have been infected and more than two million deaths have been officially reported by the WHO. Angiotensin-converting enzyme (ACE) plays a key role in the disease pathogenesis. In this computational study, seventeen coding variants were found to be important for ACE2 binding with the coronavirus spike protein. The frequencies of these allele variants range from 3.88 × 10<sup>-3</sup>
 to 5.47 × 10<sup>-6</sup>
 for rs4646116 (K26R) and rs1238146879 (P426A), respectively. Chloroquine (CQ) and its metabolite hydroxychloroquine (HCQ) are mainly used to prevent and treat malaria and rheumatic diseases. They are also used in several countries to treat SARS-CoV-2 infection inducing COVID-19. Both CQ and HCQ were found to interact differently with the various ACE2 domains reported to bind with coronavirus spike protein. A molecular docking approach revealed that intermolecular interactions of both CQ and HCQ exhibited mediation by ACE2 polymorphism. Further explorations of the relationship and the interactions between ACE2 polymorphism and CQ/HCQ would certainly help to better understand the COVID-19 management strategies, particularly their use in the absence of specific vaccines or drugs.</AbstractText>
</Abstract>
<AuthorList CompleteYN="Y"><Author ValidYN="Y"><LastName>Badraoui</LastName>
<ForeName>Riadh</ForeName>
<Initials>R</Initials>
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<AffiliationInfo><Affiliation>Laboratory of General Biology, Department of Biology, University of Ha'il, Ha'il 81451, Saudi Arabia.</Affiliation>
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<AffiliationInfo><Affiliation>Section of Histology-Cytology, Medicine College of Tunis, University of Tunis El Manar, Djebel Lakhdhar Road, La Rabta-Tunis 1007, Tunisia.</Affiliation>
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<AffiliationInfo><Affiliation>Laboratory of Histo-Embryology and Cytogenetic, Medicine College of Sfax, University of Sfax, Majida Boulila Road, Sfax 3029, Tunisia.</Affiliation>
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<Author ValidYN="Y"><LastName>Adnan</LastName>
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<Initials>M</Initials>
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<AffiliationInfo><Affiliation>Laboratory of General Biology, Department of Biology, University of Ha'il, Ha'il 81451, Saudi Arabia.</Affiliation>
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<ChemicalList><Chemical><RegistryNumber>0</RegistryNumber>
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Chloroquine and Hydroxychloroquine Interact Differently with ACE2 Domains Reported to Bind with the Coronavirus Spike Protein: Mediation by ACE2 Polymorphism.

Chloroquine and Hydroxychloroquine Interact Differently with ACE2 Domains Reported to Bind with the Coronavirus Spike Protein: Mediation by ACE2 Polymorphism.

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