Tracking the relevant researches of CADD drug development against COVID-19


60795  448.411
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DrugBank ID:



Aripiprazole is an atypical antipsychotic orally indicated for treatment of schizophrenia, bipolar I, major depressive disorder, irritability associated with autism, and Tourette's. It is also indicated as an injection for agitation associated with schizophrenia or bipolar mania. Aripiprazole exerts its effects through agonism of dopaminic and 5-HT1A receptors and antagonism of alpha adrenergic and 5-HT2A receptors. Aripiprazole was given FDA approval on November 15, 2002. [DrugBank]


5-hydroxytryptamine receptor 1A (Humans); Dopamine D2 receptor (Humans); 5-hydroxytryptamine receptor 2A (Humans); Alpha-1A adrenergic receptor (Humans); Alpha-1B adrenergic receptor (Humans); Dopamine D3 receptor (Humans); 5-hydroxytryptamine receptor 1D (Humans); 5-hydroxytryptamine receptor 7 (Humans); Alpha-2A adrenergic receptor (Humans); Alpha-2C adrenergic receptor (Humans); Histamine H1 receptor (Humans); 5-hydroxytryptamine receptor 1B (Humans); 5-hydroxytryptamine receptor 2C (Humans); 5-hydroxytryptamine receptor 3A (Humans); 5-hydroxytryptamine receptor 6 (Humans); Dopamine D1 receptor (Humans); Dopamine D4 receptor (Humans); Alpha-2B adrenergic receptor (Humans); 5-hydroxytryptamine receptor 1E (Humans); Dopamine D5 receptor (Humans); 5-hydroxytryptamine receptor 2B (Humans); 5-hydroxytryptamine receptor 5A (Humans); Beta-1 adrenergic receptor (Humans); Beta-2 adrenergic receptor (Humans); Histamine H2 receptor (Humans); Histamine H3 receptor (Humans); Histamine H4 receptor (Humans); Muscarinic acetylcholine receptor M1 (Humans); Muscarinic acetylcholine receptor M2 (Humans); Muscarinic acetylcholine receptor M3 (Humans); Muscarinic acetylcholine receptor M4 (Humans); Muscarinic acetylcholine receptor M5 (Humans); Kappa-type opioid receptor (Humans); Mu-type opioid receptor (Humans); Delta-type opioid receptor (Humans); Glutamate (NMDA) receptor (Humans); Sodium-dependent dopamine transporter (Humans); Sodium-dependent serotonin transporter (Humans) [DrugBank]


Aripiprazole has high affinity for serotonin type 2 (5HT2), dopamine type 2 (D2), alpha1 and 2 adrenergic, and H1 histaminergic receptorsLabel,1. It also acts on a number of other receptors with lower affinityLabel,1. The exact method by which aripiprazole's action on these receptors translates to a clinically relevant effect is not yet knownLabel. [DrugBank]




2D structures:  

3D structures:  

Docking in target protein

Receptor: DHODH

Docking Site: Catalytic pocket

Ligand: Aripiprazole

Vina score: -11.6

Off-target analysis based on ligand similarity (Homo sapiens)

Step 1 - Target prediction for Aripiprazole: SwissTargetPrediction

Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of Aripiprazole in the SMILES input box.

Step 2 - Blind docking for Aripiprazole: CB-Dock

Tips: Click on the link to jump to the 'CB-Dock' webserver. Upload the structure file of target predicted by 'SwissTargetPrediction' and the 2D/3D structure file of Aripiprazole to perform blind docking.