Table 1.
Ligands | Total score | Crash | Polar | Binding residues within ∼4–5 Å |
---|---|---|---|---|
EGCG | 3.9295 | −2.0846 | 2.0532 | Ser139, Tyr193,Gsh315 |
Hydroxyl‐PP | 5.1335 | −0.7367 | 1.043 | Ser139, Tyr193 |
MonoHER | 5.1376 | −1.8142 | 3.8614 | Ser139, Tyr193, Gsh315, Thr240, Ala235, Trp229 |
23‐HBA | 4.1734 | −0.9207 | 3.5045 | Trp229, Glu270 |
Quercetin | 5.2695 | −0.9159 | 1.3912 | Tyr193, Gsh315 |