Research Article
Chemical Constituents of the Bark of Zanthoxylum gilletii (Rutaceae) and Their In Vitro Antiplasmodial and Molecular Docking Studies
Table 1
ADMET score of qualified compounds from Z. gilletii with respect to the selected standards.
| | Compounds | HIA | BBB | Water solubility (mol/L) | CYP450 inhibition | hERG inhibition | Drug likeness (Lipinski) | T (1/2) | Carcinogenicity |
| | 1 | Yes (>60%) | No | Soluble (−3.615) | 2/5 | Inactive | Yes (5/5) | Short (0.255) | Yes | | 2 | Yes (>90%) | No | Moderately soluble (−6.520) | 3/5 | Inactive | Yes (5/5) | Short (0.192) | Yes | | 3 | Yes (>90%) | Yes | Soluble (−4.305) | 4/5 | Inactive | Yes (5/5) | Long 0.547 | Yes | | 5 | Yes (>90%) | No | Moderately soluble (−6.605) | 3/5 | Inactive | Yes (5/5) | Short 0.137 | Yes | | 8 | Yes (>90%) | Yes | Moderately soluble (−6.781) | 1/5 | Inactive | Yes (5/5) | Very short (0.041) | No | | 9 | Yes (>90%) | No | Moderately soluble (−6.667) | 0/5 | Inactive | Yes (5/5) | Very short (0.037) | No | | 12 | Yes (>90%) | No | Poorly soluble (−7.008) | 1/5 | Inactive | Yes (5/5) | Very short (0.030) | No | | 13 | Yes (>60%) | No | Soluble (−4.793) | 0/5 | Inactive | Yes (5/5) | Very short (0.043) | No | | Chloroquine | Yes (>90%) | Yes | Soluble (−3.902) | (2/5) | Inactive | Yes (5/5) | Very short (0.070) | No | | Artemether | Yes (>90%) | No | Soluble (−4.677) | (0/5) | Inactive | Yes (5/5) | Very short (0.089) | No |
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