Table 2 Summary of ITC data characterizing the thermodynamic properties, stoichiometry (N) and equilibrium dissociation constant Kd for binding of MPI to polyP at pH 7.4 and 25 °C

From: Smart thrombosis inhibitors without bleeding side effects via charge tunable ligand design

polyPa

MPIb

Nc

Kd (μM)

∆G (kcal/mol)

∆H (kcal/mol)

T∆S (kcal/mol)

P45d

MPI 3

0.7

0.737 ± 0.01

−8.37 ± 0.04

−107.0 ± 0.8

−98.7 ± 0.8

MPI 5

0.8

0.95 ± 0.05

−8.22 ± 0.02

−75.0 ± 0.4

−66.8 ± 0.4

MPI 7

1.0

1.27 ± 0.09

−8.05 ± 0.06

−37 ± 1

−29.0 ± 0.9

MPI 9

1.1

1.2 ± 0.2

−8.08 ± 0.02

−50.9 ± 0.5

−42.9 ± 0.5

  1. aUsed in the ITC cell.
  2. bAdded to cell via syringe.
  3. cRatio of MPI to polyP.
  4. dBuffer used was sodium phosphate buffer composed of dibasic phosphate buffer (Na2HPO4), monobasic phosphate buffer (NaH2PO4) and NaCl. NaCl concentration is 10 mM.
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