Chemical Probes for Blocking of Influenza A M2 Wild-type and S31N Channels.

ABSTRACT: We report on using the synthetic aminoadamantane-CH₂-aryl derivatives 1-6 as sensitive probes for blocking M2 S31N and influenza A virus (IAV) M2 wild-type (WT) channels as well as virus replication in cell culture. The binding kinetics measured using electrophysiology (EP) for M2 S31N channel are very dependent on the length between the adamantane moiety and the first ring of the aryl headgroup realized in 2 and 3 and the girth and length of the adamantane adduct realized in 4 and 5. Study of 1-6 shows that, according to molecular dynamics (MD) simulations and molecular mechanics Poisson-Boltzmann surface area (MM/PBSA) calculations, all bind in the M2 S31N channel with the adamantyl group positioned between V27 and G34 an

SUBMITTER: Tzitzoglaki C 

PROVIDER: S-EPMC8051587 | biostudies-literature | 2020 Sep

REPOSITORIES: biostudies-literature