Table 3 Top 10 possible binding residues in TRXR-1 with chaetocin

From: ROS-mediated inactivation of the PI3K/AKT pathway is involved in the antigastric cancer effects of thioredoxin reductase-1 inhibitor chaetocin

Residues

MM energy (kJ/mol)

Glu-477

−33.69

Gln-494

−21.56

Thr-481

−7.78

Val-478

−7.68

Tyr-116

−7.24

Glu-122

−6.04

Gly-499

−5.86

Pro-344

−5.41

His-472

−5.41

Thr-480

−4.75