Table 3.
In silico toxicity parameters calculated for all flavonoids.
| Inhibition of Different Isoforms of CYP450 | ||||||
| Flavonoid Compound |
Concentration
(µM) |
3A4 | 2D6 | 2C9 | 2C19 | 1A2 |
| QRT | 10 | 2 | 0 | 7 | 5 | 94 |
| 50 | 83 | 23 | 68 | 37 | 95 | |
| HESP | 10 | 1 | 1 | 4 | 1 | 0 |
| 50 | 6 | 1 | 4 | 2 | 0 | |
| NARGE | 10 | 3 | 1 | 51 | 82 | 67 |
| 50 | 54 | 39 | 87 | 91 | 93 | |
| NAR | 10 | 1 | 1 | 4 | 1 | 0 |
| 50 | 4 | 1 | 4 | 1 | 0 | |
| Blocking of hERG Channel | ||||||
| Flavonoid Compound |
Concentration
(µM) |
Probability
(%) |
||||
| QRT | 10 | 14 | ||||
| HESP | 10 | 0 | ||||
| NARGE | 10 | 5 | ||||
| NAR | 10 | 0 | ||||
| Calculated Median Lethal Dose (LD50) | ||||||
| Flavonoid Compound | Route of Administration |
LD50
(mg/kg) |
||||
| QRT | Intraperitoneal | 1200 | ||||
| Oral | 640 | |||||
| HESP | Intraperitoneal | 1600 | ||||
| Oral | 3000 | |||||
| NARGE | Intraperitoneal | 1200 | ||||
| Oral | 1900 | |||||
| NAR | Intraperitoneal | 1500 | ||||
| Oral | 1200 | |||||
Results were obtained with ACD/Tox Suite software version 2.95.