A Component of the Puzzle, When Attempting to Understand Antipsychotics: A Theoretical Study of Chemical Reactivity Indexes

Abstract

Schizophrenia is a human condition that has attracted the attention of researchers. There is no cure for schizophrenia but several treatments can help control symptoms (hallucinations and delusions). Dopamine D2 receptor antagonists are mainly effective for the treatment of psychotic symptoms, hence the name “antipsychotic”. This study principally aims to conduct a quantum chemical analysis of one family of antipsychotics. New physical insights have attempted to explain the pharmacological action mechanism of these drugs. Two questions for which we found a possible answer are: why the Defined Daily Dose (DDD) of these drugs varies and what do we have to consider when attempting to improve the effectiveness of medications? Although DDD is a complex concept related with pharmacokinetics, in this investigation we report some insights concerning the chemical reactivity that could be useful. These drugs are antagonists of dopamine. This means that they occupy the same receptor, but refrain from activating it. We found that the more they differ from those found in dopamine, the lower DDD is required. Chemical reactivity indexes of antipsychotics should to be different from those of dopamine. These ideas represent an aspect of the complex puzzle that contributes to define the pharmacological action of antipsychotics.