Table 2.
Grid docking parameters in molecular docking.
| Targets | PDB ID | UniProt ID | Center grid box | ||
|---|---|---|---|---|---|
| X center | Y center | Z center | |||
| CAV1 | 7SC0 | Q03135 | 0 | 0 | 0 |
| MAPK14 | 1OVE | Q16539 | 29.747 | 15.683 | 27.293 |
| JAK2 | 4IVA | O60674 | 0.161 | -11.654 | -8.084 |
| PTPN11 | 3B7O | Q06124 | 28.81 | 8.938 | 63.391 |
| ITGB3 | 4G1M | P05106 | -36.16 | 46.505 | 55.032 |
| PRKCD | 3UFF | Q05655 | 0 | 0 | 0 |
| AKT1 | 4EJN | Q01314 | 30.889 | 52.185 | 19.493 |
| VEGFA | 4QAF | P15692 | 13.309 | 63.036 | -0.942 |
| ITGB1 | 7NXD | P05556 | 130.433 | 182.225 | 111.984 |
| ESR1 | 5AAV | P03372 | 31.01 | 14.202 | 10.787 |
| PIK3R1 | 3I5S | P27986 | 0 | 0 | 0 |
| MAPK1 | 2OJG | P28482 | -13.772 | 13.979 | 41.667 |
| PTK2 | 1MP8 | Q05397 | 36.299 | -3.761 | 24.196 |
| SRC | 1O43 | P12931 | 18.953 | 20.632 | 21.188 |
| IL6 | 1ALU | P05231 | -7.7 | -12.7 | 0 |
| TP53 | 4AGP | P04637 | 91.098 | 96.917 | -46.275 |
| STAT1 | 1YVL | P42224 | -30.304 | -13.959 | 146.805 |
| MAPK8 | 4QTD | P45983 | 14.189 | 15.864 | 19.659 |
| EGFR | 5UG9 | P00533 | -8.371 | 17.712 | -12.846 |
| TNF | 5UUI | P01375 | 41.438 | 43.125 | 1.22 |
| FOS | – | P01100 | – | – | – |