Compounds | Enzymes | Ranking | Atom | Enzyme score | Energy | 2DSASA |
---|---|---|---|---|---|---|
Curcumin I | CYP3A4 | 1 | C.13 | 43.6 | 48.5 | 22.4 |
2 | C.26 | 51.6 | 62.2 | 64.3 | ||
3 | C.23 | 66.5 | 74.1 | 27.8 | ||
CYP2D6 | 1 | C.1 | 59.6 | 62.2 | 64.3 | |
2 | C.13 | 74.5 | 48.5 | 22.4 | ||
3 | C.22 | 89.5 | 77.2 | 28.6 | ||
CYP2C9 | 1 | C.1 | 59.6 | 62.2 | 64.3 | |
2 | C.13 | 71.3 | 48.5 | 22 | ||
3 | C.22 | 87.9 | 77.2 | 28.6 | ||
Curcumin II | CYP3A4 | 1 | C.13 | 43.6 | 48.5 | 22.4 |
2 | C.1 | 51.6 | 62.2 | 64.3 | ||
3 | C.6 | 66.5 | 74.1 | 27.8 | ||
CYP2D6 | 1 | C.1 | 59.6 | 62.2 | 64.3 | |
2 | C.13 | 74.5 | 48.5 | 22.4 | ||
3 | C.22 | 89.3 | 77.2 | 31.3 | ||
CYP2C9 | 1 | C.1 | 59.6 | 62.2 | 64.3 | |
2 | C.13 | 71.3 | 48.5 | 22 | ||
3 | C.22 | 87.7 | 77.2 | 31.3 | ||
Curcumin III | CYP3A4 | 1 | C.11 | 43.6 | 48.5 | 22.4 |
2 | C.2 | 68.9 | 77.2 | 31.3 | ||
3 | C.1 | 73.2 | 80.8 | 28.6 | ||
CYP2D6 | 1 | C.11 | 74.5 | 48.5 | 22.4 | |
2 | C.2 | 89.3 | 77.2 | 31.3 | ||
3 | C.1 | 99.8 | 80.8 | |||
CYP2C9 | 1 | C.11 | 71.3 | 48.5 | 22.4 | |
2 | C.2 | 87.7 | 77.2 | 31.3 | ||
3 | C.1 | 97.4 | 80.8 | 28.6 |