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. 2021 Jun 15;26(12):3652. doi: 10.3390/molecules26123652

Table 6.

Potential protein targets identified by PharmMapper for germacrene B, germacrone, curzerene, (−)-viridiflorol, and (+)- and (−)-spathulenol.

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.