Table 6.
Rank | PDB ID | Target Name | Fit Score | Rank | PDB ID | Target Name | Fit Score |
---|---|---|---|---|---|---|---|
Germacrene B | Germacrone | ||||||
1 | 1J96 | AKR1C2 | 0.9912 | 1 | 1J96 | AKR1C2 | 0.9926 |
2 | 1REU | BMP2 | 0.9846 | 2 | 1PMV | JNK3 | 0.9911 |
3 | 2P3G | MAPKAPK2 | 0.9817 | 3 | 1UKI | JNK1 | 0.9909 |
4 | 2PG2 | KIF11 | 0.9735 | 4 | 2PIN | NR1A2 | 0.9712 |
5 | 1P49 | Steroid sulfatase | 0.9567 | 5 | 1P49 | Steroid sulfatase | 0.9586 |
6 | 1SHJ | Caspase-7 | 0.9481 | 6 | 2PG2 | KIF11 | 0.9537 |
7 | 1E7E | Serum albumin | 0.9419 | 7 | 1L6L | Apo A-II | 0.9489 |
8 | 2O65 | PIM1 | 0.9295 | 8 | 1RS0 | CFB | 0.9415 |
(−)-Curzerene | ( + )-Viridiflorol | ||||||
1 | 1REU | BMP2 | 0.9904 | 1 | 1XDD | Integrin α-L | 3 |
2 | 2PIN | NR1A2 | 0.9873 | 2 | 1J96 | AKR1C2 | 3 |
3 | 2O65 | PIM1 | 0.9861 | 3 | 3BMP | BMP2 | 3 |
4 | 2P3G | MAPKAPK2 | 0.9764 | 4 | 2P3G | MAPKAPK2 | 2.906 |
5 | 1UKI | JNK1 | 0.975 | 5 | 1IF4 | CA2 | 2.886 |
6 | 1PMV | JNK3 | 0.9671 | 6 | 3CJF | VEGFR2 | 2.881 |
7 | 1RS0 | CFB | 0.9652 | 7 | 1SHJ | Caspase-7 | 2.708 |
8 | 1SHJ | Caspase-7 | 0.9594 | 8 | 3CGF | JNK3 | 2.568 |
(−)-Spathulenol | (+)-Spathulenol | ||||||
1 | 1XDD | Integrin α-L | 2.968 | 1 | 2P3G | MAPKAPK2 | 2.952 |
2 | 1NO9 | Prothrombin | 2.948 | 2 | 3BMP | BMP2 | 2.947 |
3 | 3BMP | BMP2 | 2.947 | 3 | 1XDD | Integrin α-L | 2.895 |
4 | 1J96 | AKR1C2 | 2.921 | 4 | 1NO9 | Prothrombin | 2.802 |
5 | 1E7A | Serum albumin | 2.804 | 5 | 1SHJ | Caspase-7 | 2.793 |
6 | 1PMV | JNK3 | 2.789 | 6 | 1PMV | JNK3 | 2.736 |
7 | 2P3G | MAPKAPK2 | 2.749 | 7 | 2O65 | PIM1 | 2.723 |
8 | 1P49 | Steroid sulfatase | 2.739 | 8 | 1J96 | AKR1C2 | 2.722 |
AKR1C2, aldo-keto reductase family 1 member C2 (bile acid binding protein); Apo A-II, apolipoprotein A-II; CA2, carbonic anhydrase 2; CFB, complement factor B; BMP2, bone morphogenetic protein 2; DBP, vitamin D-binding protein; KIF11, kinesin-like protein; MAPKAPK2, MAP kinase-activated protein kinase 2; PIM1, serine/threonine-specific proviral integration site for Moloney murine leukemia virus; NR1A2, thyroid hormone receptor β; p-38, mitogen-activated protein kinase 14; JNK1, mitogen-activated protein kinase 8; JNK3, mitogen-activated protein kinase 10; and VEGFR2, vascular endothelial growth factor receptor 2.