Table 7.
The predicted pharmacokinetic and drug likeliness properties of the isolated compounds by computational tools
| Peniazaphilin B | 15G256α-1 | ES242-3 | |
|---|---|---|---|
| BBB permeability (2.0–0.1: moderate absorption; < 0.1: low absorption) |
0.650509 Cbrain/Cblood |
0.0522583 Cbrain/Cblood |
0.0160411 Cbrain/Cblood |
| Caco2 permeability (4–70 moderate permeability) | 20.2 nm/s | 15.4 nm/s | 22.8 nm/s |
| Skin permeability (log Kp; with Kp in cm/s; −9.7 < log Kp < −3.5) | − 6.25 cm/s | − 7.59 cm/s | − 7.38 cm/s |
| Subcellular localization | Mitochondria | Mitochondria | Mitochondria |
| CYP-Inhibition | |||
| CYP-2C19 | Inhibitor | Inhibitor | Inhibitor |
| CYP-2C9 | Inhibitor | Inhibitor | Inhibitor |
| CYP-2D6 | Non-inhibitor | Non-inhibitor | Non-inhibitor |
| CYP-2D6 | Non-inhibitor | Non-inhibitor | Non-inhibitor |
| CYP-3A4 | Inhibitor | Inhibitor | Inhibitor |
| Water solubility | 5160.46 mg/L | 409.16 mg/L | 0.01 mg/L |
| Plasma Protein Binding | 68.5% | 86.1% | 87.6% |
| Log P (≤ 5) | 1.63 | 2.54 | 4.69 |
| Hydrogen bond Donor (≤ 5) | 1 | 5 | 4 |
| Hydrogen Bond Acceptor (≤ 10) | 4 | 15 | 11 |