Table 1 The ADME properties in silico of top 5 compounds via admetSAR Prediction
Compounds | Absorption | Metabolism (CYP450 isoforms Inhibitor) | ||||||
|---|---|---|---|---|---|---|---|---|
HIA | Caco-2 | CYP450 1A2 | CYP450 2C9 | CYP450 2D6 | CYP450 2C19 | CYP450 3A4 | score | |
Isorhamnetin | +0.9783 | +0.8866 | +0.9218 | +0.7560 | −0.6993 | +0.8648 | +0.7348 | 1.92963575 |
Kaempferide | +0.9783 | +0.8866 | +0.9218 | +0.7560 | −0.6993 | +0.8648 | +0.7348 | 1.92963575 |
Isoliquiritigenin | +0.9894 | +0.8867 | +0.935 | +0.8949 | −0.9231 | +0.8994 | +0.7959 | 1.92766477 |
Apigenin | +0.9887 | +0.8541 | +0.9222 | +0.7746 | −0.9231 | +0.7043 | +0.9580 | 1.76820103 |
Liquiritigenin | +0.9915 | +0.7142 | +0.8739 | +0.9352 | −0.8850 | +0.8456 | +0.5207 | 1.72194393 |