New Anti SARS-Cov-2 Targets for Quinoline Derivatives Chloroquine and Hydroxychloroquine.
Int J Mol Sci
; 21(16)2020 Aug 14.
Article
em En
| MEDLINE
| ID: mdl-32824072
ABSTRACT
The rapid spread of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has created a severe global health crisis. In this paper, we used docking and simulation methods to identify potential targets and the mechanism of action of chloroquine (CQ) and hydroxychloroquine (HCQ) against SARS-CoV-2. Our results showed that both CQ and HCQ influenced the functionality of the envelope (E) protein, necessary in the maturation processes of the virus, due to interactions that modify the flexibility of the protein structure. Furthermore, CQ and HCQ also influenced the proofreading and capping of viral RNA in SARS-CoV-2, performed by nsp10/nsp14 and nsp10/nsp16. In particular, HCQ demonstrated a better energy binding with the examined targets compared to CQ, probably due to the hydrogen bonding of the hydroxyl group of HCQ with polar amino acid residues.
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Base de dados:
MEDLINE
Assunto principal:
Antivirais
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Cloroquina
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Proteínas não Estruturais Virais
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Exorribonucleases
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Betacoronavirus
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Hidroxicloroquina
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Metiltransferases
Idioma:
En
Ano de publicação:
2020
Tipo de documento:
Article