Table 3.
Compounds and IL-1β molecular docking table.
Mol ID | Molecule name | Vina | Cavity | Center | Size | ||||
---|---|---|---|---|---|---|---|---|---|
Score | Size | x | y | z | x | y | z | ||
MOL000073 | ent-Epicatechin | −6.7 | 158 | −16 | 9 | −14 | 20 | 20 | 20 |
MOL000358 MOL000359 |
β-sitosterol Sitosterol |
−7.7 | 111 | −19 | 4 | 5 | 25 | 25 | 25 |
MOL000433 | FA | −7.2 | 158 | −16 | 9 | −14 | 28 | 28 | 28 |
MOL000492 | (+)-Catechin | −6.6 | 158 | −16 | 9 | −14 | 21 | 21 | 21 |
MOL001494 | Mandenol | −4.7 | 111 | −19 | 4 | 5 | 26 | 26 | 26 |
MOL001736 | (−)-Taxifolin | −6.8 | 158 | −16 | 9 | −14 | 21 | 21 | 21 |
MOL004576 | Taxifolin | −7.1 | 158 | −16 | 9 | −14 | 21 | 21 | 21 |
MOL002032 | DNOP | −4.5 | 111 | −19 | 4 | 5 | 26 | 26 | 26 |
MOL002135 | Myricanone | −6.9 | 158 | −16 | 9 | −14 | 20 | 20 | 20 |
MOL002140 | Perlolyrine | −6.7 | 111 | −19 | 4 | 5 | 21 | 21 | 21 |
MOL005344 | Ginsenoside rh2 | −7.5 | 158 | −16 | 9 | −14 | 28 | 28 | 28 |
MOL002157 | Wallichilide | −6 | 158 | −16 | 9 | −14 | 21 | 21 | 21 |