Research Article
Potential JAK2 Inhibitors from Selected Natural Compounds: A Promising Approach for Complementary Therapy in Cancer Patients
Table 5
Predicted ADMET for top-ranked herbal metabolites in this study.
| Ligand name | GI abs | BBB permeant | P-gp substrate | CYP1A2 inhibitor | CYP2C19 inhibitor | CYP2C9 inhibitor | CYP2D6 inhibitor | CYP3A4 inhibitor | Carcinogenesis | Bioavailability score |
| Orientin | Low | No | No | No | No | No | No | No | High safety | 0.17 | Kaempferol 3-rutinoside-4′-glucoside | Low | No | Yes | No | No | No | No | No | High safety | 0.17 | Vitexin | Low | No | No | No | No | No | No | No | High safety | 0.55 | Isoquercitrin | Low | No | No | No | No | No | No | No | High safety | 0.17 | Quercetin-3-rhamnoside | Low | No | Yes | No | No | No | No | No | High safety | 0.17 | Quercitrin | Low | No | Yes | No | No | No | No | No | High safety | 0.17 | Nicotiflorin | Low | No | No | No | No | No | No | No | High safety | 0.17 | Kaempferol 7-O-glucoside | Low | No | No | No | No | No | No | No | High safety | 0.17 | Astragalin | Low | No | No | No | No | No | No | No | High safety | 0.17 | Cynaroside | Low | No | Yes | No | No | No | No | No | High safety | 0.17 | Apigenin-7-glucoside | Low | No | Yes | No | No | No | No | No | High safety | 0.55 | Pulmatin | Low | No | Yes | No | No | No | No | No | High safety | 0.55 | Emodin-8-glucoside | Low | No | Yes | No | No | No | No | No | High safety | 0.55 | Chlorogenic acid | Low | No | No | No | No | No | No | No | High safety | 0.11 | Cynarin | Low | No | Yes | No | No | No | No | No | High safety | 0.11 | Rosmarinic acid | Low | No | No | No | No | No | No | No | High safety | 0.56 |
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GI, gastrointestinal; abs, absorption; BBB, blood–brain barrier; P-gp, p-glycoprotein; CYP, cytochrome p-450.
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