Table 2.
Code | Lipinski rule/violation | GI | BBB | A | WS | CT | HT | OT mol/kg | HU | SP (log Kp) |
---|---|---|---|---|---|---|---|---|---|---|
P1 | Yes/1 | L | N | N | MS | N | N | 1.588 | 0.102 | −2.77 cm/s |
P2 | Yes/1 | H | N | N | MS | N | N | 1.532 | 0.244 | −3.00 cm/s |
P3 | Yes/1 | L | N | N | MS | N | N | 1.663 | 0.07 | −2.49 cm/s |
P4 | Yes/1 | L | N | N | PS | N | N | 1.68 | 0.13 | −1.84 cm/s |
P5 | Yes/1 | L | N | N | MS | N | N | 1.607 | 0.05 | −2.29 cm/s |
P6 | Yes/1 | L | N | N | PS | N | N | 1.615 | −0.134 | −1.26 cm/s |
P7 | Yes/1 | L | N | N | PS | N | N | 1.473 | 0.272 | −1.17 cm/s |
Phytochemicals P1 to P7 follow the Lipinski rules with single violation MLOGP>4.15. These phytochemicals GI- Gastrointestinal absorption, BBB-Blood brain barrier permeability, A- AMES toxicity, WS- water solubility, CT- Cytotoxicity, HT-Hepatotoxicity, OT-Oral toxicity LD50 [mol/kg], PS- Poorly soluble, HU- human max tolerated dose log mg/kg/day, SP- Skin permeability were reported. Y-Yes, N-no, L-low, H-High. MS- medium solubility.