Anno2015
AutoriRey-Carrizo M.; Gazzarrini S.; Llabres S.; Frigole-Vivas M.; Juarez-Jimenez J.; Font-Bardia M.; Naesens L.; Moroni A.; Luque F.J.; Vazquez S.
AbstractTwo 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.
RivistaEuropean Journal Of Medicinal Chemistry
ISSN0223-5234
Impact factor0
Volume96
Pagina inizio318
Pagina fine329
Autori IBFAnna MORONI
Linee di Ricerca IBFMD.P01.005.001
Sedi IBFIBF.MI