Detailed Information for N00036
IPAD-DB ID N00036
Name Fullerene C180
Category Nano-inhibitors
EC50 -
IC50 -
Inhibition -
Toxicity
ROS(reactive oxygen species)
Metal Chelating
BBB(blood-brain barrier)
Target Protein Aβ16-22
Effects (1) The stronger inhibition of β-sheet formation by C180 results from the strong hydrophobic and aromatic-stacking interactions of the fullerene hexagonal rings with the Phe rings relative to the pentagonal rings; (2) The strong interactions between the fullerene nanoparticles and Aβ(16–22) peptides significantly weaken the peptide–peptide interaction that is important for β-sheet formation, thus retarding Aβ(16–22) fibrillation; (3) When the three C60 molecules are replaced by one C180 molecule (C180 has the same number of carbon atoms as 3C60) , Aβ displays a dramatically reduced β-sheet content of 18.1%;
Research Models Exchange molecular dynamics (REMD) simulations
Main Source
Ref. Link