Table 4 Molecular docking results of core targets and active components
Target | PDB ID | Component | Docking score (kcal/mol) |
|---|---|---|---|
IL6 | 1IL6 | Sobrol A | -5.4 |
Benzaldoxime | -5.6 | ||
(+)-L-Alliin | -4.5 | ||
TNF | 1A8M | Sobrol A | -6.7 |
Benzaldoxime | -5.6 | ||
(+)-L-Alliin | -5.4 | ||
2-ISOPROPYL-1-3-DIOXOLANE | -4.9 | ||
3-Ethenyl-1-2-dithia-cyclohex-5-ene | -4.8 | ||
IL1B | 1IOB | Sobrol A | -4.8 |
Benzaldoxime | -4.5 | ||
(+)-L-Alliin | -5.0 | ||
TLR4 | 3FXI | Sobrol A | -5.7 |
Benzaldoxime | -5.7 | ||
(+)-L-Alliin | -4.9 | ||
ADH1A | 1HSO | Sobrol A | -5.9 |
(+)-L-Alliin | -5.2 | ||
Benzaldoxime | -5.1 | ||
Allicin | -4.4 | ||
ADH1B | 3HUD | Sobrol A | -6.3 |
(+)-L-Alliin | -5.2 | ||
Benzaldoxime | -5.5 | ||
Allicin | -4.6 | ||
ADH1C | 1HT0 | Sobrol A | -6.1 |
(+)-L-Alliin | -5.1 | ||
Benzaldoxime | -5.4 | ||
Allicin | -4.9 | ||
ADH5 | 3QJ5 | Sobrol A | -5.7 |
(+)-L-Alliin | -5.1 | ||
Benzaldoxime | -5.5 | ||
Allicin | -4.2 |