Table 4 Top interacting drug with its pharmacological known and predicted protein target
From: In silico repurposing of antipsychotic drugs for Alzheimer’s disease
Drug name | IUPAC name | Drug structure | Known pharmacological target | Predicted drug target |
|---|---|---|---|---|
Pimozide | 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1H-benzimidazol-2-one |
| Dopamine D2 receptor [53] | AChE |
Bromperidol | 4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one |
| Dopamine D2 receptor [54] | BuChE |
Melperone | 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one |
| Dopamine D2/D3 and 5-HT2A antagonist [55] | MAO A |
Anisoperidone | 1-(4-methoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one |
| Dopamine D2 and 5-HT2A receptors [56] | BACE 1 (3L5E) |
Benperidol | 3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one |
| Dopamine D2 antagonist [57] | BACE 1 (4D8C) |
Anisopirol | 1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-ol |
| Dopamine receptor [58] | NMDA |
