Table 2 Calculated binding energies ΔG inter (kcal/mol) of six PTP1B inhibitors to protein models with hPTP1B as standard
H. sapiens | S. scrofa | T. chinensis | H. glaber | M. brandtii | P. alecto | R. norvegicus | M. musculus | |
|---|---|---|---|---|---|---|---|---|
Ertiprotafib | -9.6 | -9.6 | -10.8 | -9.6 | -9.7 | -9.7 | -9.7 | -9.6 |
Compound 1 | -14.3 | -13.5 | -15.4 | -14.6 | -13.7 | -13.7 | -13.5 | -13.7 |
Compound 2 | -13.7 | -14.8 | -15.4 | -14.2 | -14.2 | -13.7 | -14.8 | -13.9 |
Compound 3 | -9.8 | -9.8 | -10.3 | -9.8 | -8.2 | -9.7 | -9.7 | -9.5 |
Compound 4 | -13.7 | -13.9 | -16.7 | -14.2 | -12.8 | -13 | -13.7 | -12.3 |
Compound 5 | -16.7 | -14.1 | -17 | -13.9 | -14.1 | -15 | -17.3 | -14 |