Analyzing the interaction energy between dopaminergic agents and DRD2: Is there any difference between risperidone (antagonist), aripiprazole (partial agonist) and pramipexole (agonist)?
Abstract
Abstract Agonists and antagonists of dopamine are drugs commonly used to control psychosis. The action mechanism of these drugs is however, contrary. Agonists bind to the receptor and activate it, whereas antagonists interact and block the receptor. Even though the effects of these treatments on patients have been documented, the mechanism of action of these drugs is not fully understood. In this investigation, we perform quantum chemical calculations for risperidone (antagonist), aripiprazole (partial agonist), pramipexole (agonist) and dopamine, within the cavity at the binding site of the dopamine D2 receptor. Risperidone is the only molecule that is able to replace dopamine at its receptor. This may explain the efficiency of this drug for controlling the symptoms of schizophrenia and likewise its adverse effects. The greater the electron acceptor capacity of the ligand, the more it interacts with the dopamine cavity. This information will help elucidate the action mechanism of these molecules.
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