Table 9 The binding energies between predicted drugs and the protein of CYP3A4
Drug name | Binding energy (kcal/mol) | Drug name | Binding energy (kcal/mol) |
|---|---|---|---|
Amitriptyline | − 4.93 | Olaparib | − 4.14 |
Haloperidol | − 3.28 | Ponatinib | − 4.19 |
Brigatinib | − 3.46 | Zanubrutinib | − 4.08 |
Aripiprazole | − 3.62 | Ketamine | − 3.99 |
Methadone | − 3.77 | Enflurane | − 1.91 |
Pyrimethamine | − 4.45 | Melatonin | − 3.83 |
Rhein | − 3.97 | Nandrolone decanoate | − 4.89 |