Fig. 3. Strategy for structural optimization to improve binding affinity and membrane permeability using oligo-NSA as a modularly reprogrammable template. (a) Molecular dynamics (MD) simulations of oligo-NSA 1 in complex with MDM2. A representative structure of the complex during the simulations is shown. (b) Submonomer synthesis of oligo-NSA. Each N-substituent is modularly introduced using aldehydes or alcohols as submonomers.
