Identification of ebselen and its analogues as potent covalent inhibitors of papain-like protease from SARS-CoV-2.

Antiviral Agents / chemistry Azoles / chemistry Binding Sites Coronavirus Papain-Like Proteases / antagonists & inhibitors Isoindoles Molecular Docking Simulation Organoselenium Compounds / chemistry Protease Inhibitors / chemistry Protein Binding

Journal

Scientific reports
ISSN: 2045-2322
Titre abrégé: Sci Rep
Pays: England
ID NLM: 101563288

Informations de publication

Date de publication:
11 02 2021
Historique:
received: 28 07 2020
accepted: 08 01 2021
entrez: 12 2 2021
pubmed: 13 2 2021
medline: 27 2 2021
Statut: epublish

Résumé

An efficient treatment against a COVID-19 disease, caused by the novel coronavirus SARS-CoV-2 (CoV2), remains a challenge. The papain-like protease (PL

Identifiants

DOI: 10.1038/s41598-021-83229-6 PMID: 33574416 PMC: PMC7878891
pubmed: 33574416
doi: 10.1038/s41598-021-83229-6
pii: 10.1038/s41598-021-83229-6
pmc: PMC7878891
doi:

Substances chimiques

Antiviral Agents 0
Azoles 0
Isoindoles 0
Organoselenium Compounds 0
Protease Inhibitors 0
ebselen 40X2P7DPGH
Coronavirus Papain-Like Proteases EC 3.4.22.2
papain-like protease, SARS-CoV-2 EC 3.4.22.2

Types de publication

Journal Article Research Support, Non-U.S. Gov't

Langues

eng

Sous-ensembles de citation

IM

Pagination

3640

Subventions

Organisme : Ministerstwo Nauki i Szkolnictwa Wyższego
ID : 1639/MOB/V/2017/0
Organisme : Politechnika Wrocławska
ID : 82013902

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Auteurs

Ewelina Weglarz-Tomczak (E)

Molecular Biology and Microbial Food Safety Group, Swammerdam Institute for Life Sciences, Faculty of Science, University of Amsterdam, Amsterdam, The Netherlands. ewelina.weglarz.tomczak@gmail.com.

Jakub M Tomczak (JM)

Computational Intelligence Group, Department of Computer Science, Faculty of Science, Vrije Universiteit Amsterdam, Amsterdam, The Netherlands.

Michał Talma (M)

Department of Bioorganic Chemistry, Faculty of Chemistry, Wroclaw University of Science and Technology, Wrocław, Poland.

Małgorzata Burda-Grabowska (M)

Department of Bioorganic Chemistry, Faculty of Chemistry, Wroclaw University of Science and Technology, Wrocław, Poland.
Department of Organic and Medicinal Chemistry, Faculty of Chemistry, Wroclaw University of Science and Technology, Wrocław, Poland.

Mirosław Giurg (M)

Department of Organic and Medicinal Chemistry, Faculty of Chemistry, Wroclaw University of Science and Technology, Wrocław, Poland.

Stanley Brul (S)

Molecular Biology and Microbial Food Safety Group, Swammerdam Institute for Life Sciences, Faculty of Science, University of Amsterdam, Amsterdam, The Netherlands. s.brul@uva.nl.

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Classifications MeSH

questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Utilisations thérapeutiques › Anti-infectieux › Antiviraux › Identification of ebselen and its analogues as...
questionsmedicales.fr › Composés hétérocycliques › Composés hétéromonocycliques › Azoles › Identification of ebselen and its analogues as...
questionsmedicales.fr › Phénomènes chimiques › Phénomènes biochimiques › Sites de fixation › Identification of ebselen and its analogues as...
questionsmedicales.fr › Acides aminés, peptides et protéines › Protéines › Protéines virales › Protéines virales non structurales › Protéases virales › Protéases virales de type papaïne › Protéases de type papaïne des coronavirus › Identification of ebselen and its analogues as...
questionsmedicales.fr › Composés hétérocycliques › Composés hétérocycliques à cycles fusionnés › Composés hétérobicycliques › Isoindoles › Identification of ebselen and its analogues as...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de docking moléculaire › Identification of ebselen and its analogues as...
questionsmedicales.fr › Composés chimiques organiques › Composés organiques du sélénium › Identification of ebselen and its analogues as...
questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Mécanismes moléculaires de l'action pharmacologique › Antienzymes › Inhibiteurs de protéases › Identification of ebselen and its analogues as...
questionsmedicales.fr › Métabolisme › Liaison aux protéines › Identification of ebselen and its analogues as...