Fig. 1: Schematic representation of general macromolecular polycationic inhibitor (MPI) binding to polyP.
From: Smart thrombosis inhibitors without bleeding side effects via charge tunable ligand design
A MPI binds polyP to form a stable (MPI + polyP) complex. B Zoom-in of charges on MPI and polyP shows that as the cationic charges on MPI initiate binding to the negative charges on polyP, the changes in the electronic microstate of MPI induce a change in the susceptibility of protonation of MPI amines, resulting in a tunable protonation state capable of recruiting protons to successfully bind polyP. The recruitment of protons upon MPI-polyP binding were demonstrated using isothermal titration calorimetry measurements. C Structure of hyperbranched polyglycerol (HPG), polymer core in MPI. D Structure of polyethylene glycol (PEG), brush structure on MPI. E Structures of cationic binding groups CBG I and CBG II conjugated on HPG-PEG surface to bind polyP. The pKa values of amine nitrogen atoms on CBG I attached to HPG-PEG are 8.4, 7.0, & 3.7 and on CBG II attached to HPG-PEG are 8.9, 6.5 and 3.6 based on potentiometric titrations. This figure was created in part using BioRender.com.
