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


5073  410.502
RB NOA Rings logP


DrugBank ID:



Risperidone is a second-generation antipsychotic (SGA) medication used in the treatment of a number of mood and mental health conditions including schizophrenia and bipolar disorder.It is one of the most widely used SGAs.Paliperidone, another commonly used SGA, is the primary active metabolite of risperidone (i.e. 9-hydroxyrisperidone).Schizophrenia and various mood disorders are thought to be caused by an excess of dopaminergic D2 and serotonergic 5-HT2A activity, resulting in overactivity of central mesolimbic pathways and mesocortical pathways, respectively.Risperidone is thought to reduce this overactivity through inhibition of dopaminergic D2 receptors and serotonergic 5-HT2A receptors in the brain.Risperidone binds with a very high affinity to 5-HT2A receptors, approximately 10-20 fold greater than the drug's binding affinity to D2 receptorsand carries lesser activity at several off-targets which may responsible for some of its undesirable effects. [DrugBank]


5-hydroxytryptamine receptor 2A (Humans); Dopamine D2 receptor (Humans); Alpha-1B adrenergic receptor (Humans); Alpha-2B adrenergic receptor (Humans); Alpha-1A adrenergic receptor (Humans); Alpha-2C adrenergic receptor (Humans); Histamine H1 receptor (Humans); 5-hydroxytryptamine receptor 2C (Humans); 5-hydroxytryptamine receptor 1D (Humans); 5-hydroxytryptamine receptor 1A (Humans); 5-hydroxytryptamine receptor 7 (Humans); D(2L) dopamine receptor (Humans); Dopamine D1 receptor (Humans) [DrugBank]


The primary action of risperidone is to decrease dopaminergic and serotonergic pathway activity in the brain, therefore decreasing symptoms of schizophrenia and mood disorders.3,4 [DrugBank]




2D structures:  

3D structures:  

Docking in target protein

Receptor: DHODH

Docking Site: Catalytic pocket

Ligand: Risperidone

Vina score: -12

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

Step 1 - Target prediction for Risperidone: SwissTargetPrediction

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

Step 2 - Blind docking for Risperidone: 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 Risperidone to perform blind docking.