1 research outputs found
Protein-Triggered Supramolecular Disassembly: Insights Based on Variations in Ligand Location in Amphiphilic Dendrons
We use monodisperse
dendrons that allow control over functional
group presentation to investigate the influence of the location of
a ligand on protein-induced disassembly and release of encapsulated
small molecules. Based on both experiments and molecular dynamics
simulations, we demonstrate that ligand location greatly influences
release of guest molecules from the dendron-based supramolecular assembly.
We show that a ligand moiety grafted to the dendron periphery is more
accessible for the target protein in aqueous solution. On the other
hand, the ligand moiety placed at the focal point or at the intermediate
layer within the dendritic scaffold is less accessible, since it is
surrounded by an environment rich in PEG chains, which hinders binding
and even influences nonspecific interactions. We also demonstrate
that the specific binding between one ligand and the target protein
can destabilize the dendritic assembly. Furthermore, if more ligands
are available, multivalent interactions are also possible with extravidin,
which speed up disassembly and trigger the release of hydrophobic
guests