Table 3. Docking Results of Mutual Compounds and Target Proteins.
| target protein | compound type | compound name | lowest binding energy/kcal·mol–1 | inhibiting constant/μmol·L–1 | number of hydrogen bonds | number of hydrophobic interactions |
|---|---|---|---|---|---|---|
| UGT1A1 | inhibitor | dacomitinib | –6.61 | 14.32 | 1 | 5 |
| inducer | phenobarbital | –5.1 | 182.12 | 5 | 3 | |
| tested compound | naringenin | –5.41 | 107.37 | 3 | 6 | |
| tested compound | tangeretin | –4.87 | 268.93 | 1 | 3 | |
| tested compound | nobiletin | –3.9 | 1380 | 3 | 3 | |
| tested compound | apigenin | –5.48 | 96.34 | 3 | 2 | |
| CYP3A4 | inhibitor | ketoconazole | –7.64 | 2.52 | 3 | 4 |
| inducer | phenobarbital | –6.81 | 10.21 | 3 | 4 | |
| tested compound | naringenin | –6.92 | 8.53 | 6 | 3 | |
| tested compound | tangeretin | –5.89 | 48.21 | 3 | 2 | |
| tested compound | nobiletin | –7.05 | 6.78 | 5 | 1 | |
| tested compound | apigenin | –6.86 | 9.42 | 5 | 2 |