Table 3 Putative Binding mode interaction of Top most compounds with EGFR
Compound Name | Binding Energy (KJ/mol) | Bond length (Å) | Amino acids |
|---|---|---|---|
Quercetin3,7-diglucoside | -14.6360 | 2.91 | Thr766 |
2.88 | Thr766 | ||
2.69 | Thr830 | ||
2.52 | Lys721 | ||
Quercetinxylosyl glucoside | -14.6385 | 2.45 | Glu738 |
2.63 | Glu738 | ||
2.77 | Lys721 | ||
1.84 | Lys721 | ||
Kaempferol 3-xyloside-7-glucoside | -15.1710 | 2.68 | Lys692 |
2.58 | Lys692 | ||
1.76 | Lys692 | ||
2.5 | Asp831 | ||
2.54 | Thr830 | ||
kaempferol-3-O-D-glucoside | -17.7126 | 2.79 | Thr766 |
3.14 | Thr830 | ||
3.24 | Lys721 | ||
Isorhamnetin-3-O-glucoside | -16.2629 | 2.66 | Glu738 |
2.38 | Thr766 | ||
2.73 | Asp831 | ||
2.29 | Lys721 | ||
2.81 | Lys721 | ||
2.62 | Thr766 | ||
2.38 | Thr766 | ||
2.44 | Thr830 |