Table 5 The verification of drug-likeness and toxicity on key SMs
Parameters | Secondary metabolite | |||
|---|---|---|---|---|
Myricetin | Quercetin | Diosgenin | Vestitol | |
Hydrogen bonding acceptor (HBA); < 10 | 8 | 7 | 3 | 4 |
Hydrogen bonding donor (HBD); ≤ 5 | 6 | 5 | 1 | 2 |
Moriguchi octanol–water partition coefficient (MLog P); ≤ 4.15 | − 1.08 | − 0.56 | 4.94 | 1.87 |
Topological polar surface area (TPSA(Å2)) < 140 | 151.59 | 131.36 | 38.69 | 58.92 |
Lipinski’s rule ≤ 1 | 1 | 0 | 1 | 0 |
hERG (hERG blockers) | Non-inhibitor | Non-inhibitor | Non-inhibitor | Non-inhibitor |
Human hepatotoxicity (H-HT) | Negative | Negative | Negative | Negative |
Carcinogens | Non-carcinogens | Non-carcinogens | Non-carcinogens | Non-carcinogens |
Cytotoxicity | Inactive | Inactive | Inactive | Inactive |
Eye corrosion | Negative | Negative | Negative | Negative |