Arbidol targeting influenza virus A Hemagglutinin; A comparative study.

Angiotensin Receptor Antagonists Angiotensin-Converting Enzyme Inhibitors Hemagglutinins Indoles
3D modulation Arbidol Hemagglutinin Hemagglutinin inhibitor Influenza A Molecular docking

Journal

Biophysical chemistry
ISSN: 1873-4200
Titre abrégé: Biophys Chem
Pays: Netherlands
ID NLM: 0403171

Informations de publication

Date de publication:
10 2021
Historique:
received: 06 05 2021
revised: 30 07 2021
accepted: 01 08 2021
pubmed: 14 8 2021
medline: 17 12 2021
entrez: 13 8 2021
Statut: ppublish

Résumé

Influenza (flu) is a serious global health threat. The Hemagglutinin (HA) protein binds the flu virus to the sialic acids at the surface of the host cells' membrane which allows the endocytosis of the virus. Therefore, potential inhibitors can attach to the active site of HA and block the virus life-cycle. In this study, the antiviral drug arbidol (ARB) and 16 HA-subtypes were docked and analyzed to represent different approaches in predicting the conformation of protein-ligand, protein-protein, and protein-glycan complex and its binding energy. Our findings show that ARB interacts with all HA subtypes, and H

Identifiants

DOI: 10.1016/j.bpc.2021.106663 PMID: 34388678
pubmed: 34388678
pii: S0301-4622(21)00145-9
doi: 10.1016/j.bpc.2021.106663
pii:
doi:

Substances chimiques

Angiotensin Receptor Antagonists 0
Angiotensin-Converting Enzyme Inhibitors 0
Hemagglutinins 0
Indoles 0
umifenovir 93M09WW4RU

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

106663

Informations de copyright

Copyright © 2021 Elsevier B.V. All rights reserved.

Auteurs

Alhassan Ali Ahmed (AA)

University of Warsaw, Center of New Technologies (CeNT), Warsaw, Poland; Department of Bioinformatics and Computational Biology, Poznan University of Medical Sciences, Poznan, Poland. Electronic address: alhassan.ahmed@student.ump.edu.pl.

Mohamed Abouzid (M)

Department of Physical Pharmacy and Pharmacokinetics, Faculty of Pharmacy, Poznan University of Medical Sciences, Poznan, Poland.

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Classifications MeSH

questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Mécanismes moléculaires de l'action pharmacologique › Antagonistes des récepteurs aux angiotensines › Arbidol targeting influenza virus A...
questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Mécanismes moléculaires de l'action pharmacologique › Antienzymes › Inhibiteurs de protéases › Inhibiteurs de l'enzyme de conversion de l'angiotensine › Arbidol targeting influenza virus A...
questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Utilisations thérapeutiques › Agents hématologiques › Coagulants › Agglutinines › Hémagglutinines › Arbidol targeting influenza virus A...
questionsmedicales.fr › Composés hétérocycliques › Composés hétérocycliques à cycles fusionnés › Composés hétérobicycliques › Indoles › Arbidol targeting influenza virus A...