Table 1.

Docking interaction and scoring of pinitol with PTPN22.

Est. free energy of binding	Est. inhibition constant, Ki	vdW + Hbond + desolv energy	Electrostatic energy	Total intermolecular energy
−3.32kcal/mol	3.66 mM	−3.78 kcal/mol	−0.17 kcal/mol	−3.94 kcal/mol