ChEMBL ( https://www.ebi.ac.uk/chembl/ ) is a manually curated, high-quality, large-scale,
open, FAIR and Global Core Biodata Resource of bioactive molecules with drug-like …

Adamantane derivatives, such as amantadine and rimantadine, have been reported to
block the transmembrane domain (TM) of the M2 protein of influenza A virus (A/M2) but their …

The development of novel anti-influenza drugs is of great importance because of the capability
of influenza viruses to occasionally cross interspecies barriers and to rapidly mutate. One …

Cyclophilins (Cyps) are a major family of drug targets that are challenging to prosecute with
small molecules because the shallow nature and high degree of conservation of the active …

The mechanism of amantadine binding to the S31 variant of the M2 protein of Influenza A is
well understood, but the reasons behind N31 M2 amantadine insensitivity remain under …

Proteins need to interconvert between many conformations in order to function, many of
which are formed transiently, and sparsely populated. Particularly when the lifetimes of these …

Fragment-based drug discovery is an increasingly popular method to identify novel small-molecule
drug candidates. One of the limitations of the approach is the difficulty of accurately …

The ability of amantadine to block wild-type influenza A M2 is profoundly influenced by its
position and orientation in the channel, which in turn affect the drug's hydration state, …

The M2 proton channel from Influenza A virus is essential for the viral lifecycle and is an
important drug target. Amino acid mutations in the residues lining the pore of the channel have …

432a Tuesday, February 18, 2014 adamantane cage reduced activity. Another showed that
the adduct must be more than 2 carbons. Pre-exposing the virus to drug before inoculation …