N-benzyl 4,4-disubstituted piperidines as a potent class of influenza H1N1 virus inhibitors showing a novel mechanism of hemagglutinin fusion peptide interaction.


Journal

European journal of medicinal chemistry
ISSN: 1768-3254
Titre abrégé: Eur J Med Chem
Pays: France
ID NLM: 0420510

Informations de publication

Date de publication:
15 May 2020
Historique:
received: 04 02 2020
revised: 09 03 2020
accepted: 09 03 2020
pubmed: 30 3 2020
medline: 1 12 2020
entrez: 30 3 2020
Statut: ppublish

Résumé

The influenza virus hemagglutinin (HA) is an attractive target for antiviral therapy due to its essential role in mediating virus entry into the host cell. We here report the identification of a class of N-benzyl-4,4,-disubstituted piperidines as influenza A virus fusion inhibitors with specific activity against the H1N1 subtype. Using the highly efficient one-step Ugi four-component reaction, diverse library of piperidine-based analogues was synthesized and evaluated to explore the structure-activity relationships (SAR). Mechanistic studies, including resistance selection with the most active compound (2) demonstrated that it acts as an inhibitor of the low pH-induced HA-mediated membrane fusion process. Computational studies identified an as yet unrecognized fusion inhibitor binding site, which is located at the bottom of the HA

Identifiants

pubmed: 32220685
pii: S0223-5234(20)30190-2
doi: 10.1016/j.ejmech.2020.112223
pii:
doi:

Substances chimiques

Antiviral Agents 0
Hemagglutinin Glycoproteins, Influenza Virus 0
Piperidines 0

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

112223

Informations de copyright

Copyright © 2020 Elsevier Masson SAS. All rights reserved.

Déclaration de conflit d'intérêts

Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.

Auteurs

Sonia de Castro (S)

Instituto de Química Médica (C.S.I.C.), Juan de la Cierva 3, E-28006, Madrid, Spain.

Tiziana Ginex (T)

Departament de Nutrició, Ciències de l'Alimentació I Gastronomia, Institut de Biomedicina (IBUB) and Institut de Química Teòrica i Computacional (IQTCUB), Facultat de Farmàcia i Ciències de l'Alimentació, Universitat de Barcelona, Santa Coloma de Gramenet, Spain.

Evelien Vanderlinden (E)

Rega Institute for Medical Research, KU Leuven, University of Leuven, B-3000, Belgium.

Manon Laporte (M)

Rega Institute for Medical Research, KU Leuven, University of Leuven, B-3000, Belgium.

Annelies Stevaert (A)

Rega Institute for Medical Research, KU Leuven, University of Leuven, B-3000, Belgium.

José Cumella (J)

Instituto de Química Médica (C.S.I.C.), Juan de la Cierva 3, E-28006, Madrid, Spain.

Federico Gago (F)

Área de Farmacología, Departamento de Ciencias Biomédicas, Unidad Asociada al IQM-CSIC, Universidad de Alcalá, E-28805, Alcalá de Henares, Madrid, Spain.

María José Camarasa (MJ)

Instituto de Química Médica (C.S.I.C.), Juan de la Cierva 3, E-28006, Madrid, Spain.

F Javier Luque (FJ)

Departament de Nutrició, Ciències de l'Alimentació I Gastronomia, Institut de Biomedicina (IBUB) and Institut de Química Teòrica i Computacional (IQTCUB), Facultat de Farmàcia i Ciències de l'Alimentació, Universitat de Barcelona, Santa Coloma de Gramenet, Spain. Electronic address: fjluque@ub.edu.

Lieve Naesens (L)

Rega Institute for Medical Research, KU Leuven, University of Leuven, B-3000, Belgium. Electronic address: lieve.naesens@kuleuven.be.

Sonsoles Velazquez (S)

Instituto de Química Médica (C.S.I.C.), Juan de la Cierva 3, E-28006, Madrid, Spain. Electronic address: iqmsv29@iqm.csic.es.

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Classifications MeSH