TABLE 3.
Ranking of natural products binding with CPS1.
| Catalog_No. | Name | Docking score | Glide gscore | Glide emodel |
|---|---|---|---|---|
| HY-13680 | Meisoindigo | −11.479 | −11.479 | −75.095 |
| HY-N0359 | Cynarin | −10.783 | −10.783 | −83.779 |
| HY-N0114 | Evodiamine | −10.712 | −10.712 | −67.671 |
| HY-N0058 | 4,5-Dicaffeoylquinic acid | −10.685 | −10.685 | −89.305 |
| HY-N0261 | Aurantio-obtusin | −10.650 | −10.691 | −84.624 |
| HY-N0134 | Tanshinone I | −10.644 | −10.644 | −73.372 |
| HY-13065 | Isobavachalcone | −10.576 | −10.623 | −79.175 |
| HY-N0120A | Polydatin | −10.562 | −10.562 | −87.920 |
| HY-B1756 | Rotenone | −10.454 | −10.454 | −75.489 |