Please use this identifier to cite or link to this item:
http://hdl.handle.net/2445/128386
Title: | New polycyclic dual inhibitors of the wild type and the V27A mutant M2 channel of the influenza A virus with unexpected binding mode |
Author: | Rey Carrizo, Matías Gazzarrini, Sabrina Llabrés Prat, Salomé Frigolé Vivas, Marta Juárez Jiménez, Jordi Font Bardia, Ma. Mercedes Naesens, Lieve Moroni, Anna Luque Garriga, F. Xavier Vázquez Cruz, Santiago |
Keywords: | Química orgànica Síntesi orgànica Virus Influenzavirus Medicaments antivírics Organic chemistry Organic synthesis Viruses Influenza viruses Antiviral agents |
Issue Date: | 14-Apr-2015 |
Publisher: | Elsevier Masson SAS |
Abstract: | Two new polycyclic scaffolds were synthesized and evaluated as anti-influenza A compounds. The 5-azapentacyclo[6.4.0.02,10.03,7.09,11]dodecane derivatives were only active against the wild-type M2 channel in the low-micromolar range. However, some of the 14-azaheptacyclo[8.6.1.02,5.03,11.04,9.06,17.012,16]heptadecane derivatives were dual inhibitors of the wild-type and the V27A mutant M2 channels. The antiviral activity of these molecules was confirmed by cell culture assays. Their binding mode was analysed through molecular dynamics simulations, which showed the existence of distinct binding modes in the wild type M2 channel and its V27A variant. |
Note: | Versió postprint del document publicat a: https://doi.org/10.1016/j.ejmech.2015.04.030 |
It is part of: | European Journal of Medicinal Chemistry, 2015, vol. 96, p. 318-329 |
URI: | http://hdl.handle.net/2445/128386 |
Related resource: | https://doi.org/10.1016/j.ejmech.2015.04.030 |
ISSN: | 0223-5234 |
Appears in Collections: | Articles publicats en revistes (Institut de Biomedicina (IBUB)) Articles publicats en revistes (Nutrició, Ciències de l'Alimentació i Gastronomia) Articles publicats en revistes (Farmàcia, Tecnologia Farmacèutica i Fisicoquímica) Articles publicats en revistes (Mineralogia, Petrologia i Geologia Aplicada) |
Files in This Item:
File | Description | Size | Format | |
---|---|---|---|---|
651826.pdf | 3.15 MB | Adobe PDF | View/Open |
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.