Table 3 Estimation of ADMET analysis for phytochemicals selected from V. negundo (L)
Properties | Casticin | Isoorientin | Luteolin | P-Hydroxybenzoic acid | Chrysophanol | Silibinin | Capecitabine | 5-Flurouracil | Irinotecan |
|---|---|---|---|---|---|---|---|---|---|
BBB | 1.49973 | 1.49973 | 1.49973 | 1.49973 | 1.49973 | 1.49973 | 1.49973 | 1.49973 | 1.49973 |
Buffer solubility (mg/L) | 5803.83 | 5803.83 | 5803.83 | 5803.83 | 5803.83 | 5803.83 | 5803.83 | 5803.83 | 5803.83 |
Caco2 | 22.2815 | 22.2815 | 22.2815 | 22.2815 | 22.2815 | 22.2815 | 22.2815 | 22.2815 | 22.2815 |
HIA | 100 | 100 | 100 | 100 | 100 | 100 | 100 | 100 | 100 |
MDCK | 204.401 | 204.401 | 204.401 | 204.401 | 204.401 | 204.401 | 204.401 | 204.401 | 204.401 |
Pgp inhibition | Non | Non | Non | Non | Non | Non | Non | Non | Non |
Plasma Protein Binding | − 1.0 | − 1.0 | − 1.0 | − 1.0 | − 1.0 | − 1.0 | − 1.0 | − 1.0 | − 1.0 |
Pure water solubility (mg/L) | 3921.34 | 3921.34 | 3921.34 | 3921.34 | 3921.34 | 3921.34 | 3921.34 | 3921.34 | 3921.34 |
Skin Permeability | − 1.86648 | − 1.8665 | − 1.8665 | − 1.8665 | − 1.8665 | − 1.8665 | − 1.86648 | − 1.86648 | − 1.86648 |
SKlogD value | 0.96516 | 0.96516 | 0.96516 | 0.96516 | 0.96516 | 0.96516 | 0.96516 | 0.96516 | 0.96516 |
Algae_at | 0.0514568 | 0.05146 | 0.05146 | 0.05146 | 0.05146 | 0.05146 | 0.051457 | 0.051457 | 0.051457 |
Ames test | Mutagen | Mutagen | Mutagen | Mutagen | Mutagen | Mutagen | Mutagen | Mutagen | Mutagen |
Carcino Mouse | Negative | Negative | Negative | Negative | Negative | Negative | Negative | Negative | Negative |
hERG inhibition | Medium risk | Medium risk | Medium risk | Medium risk | Medium risk | Medium risk | Medium risk | Medium risk | Medium risk |