WHY IS CLOZAPINE MORE EFFECTIVE THAN OTHER ATYPICAL ANTIPSYCHOTICS? DENSITY FUNCTIONAL THEORY AND MOLECULAR DOCKING APPROACH

Year 2019, Volume: 2 Issue: 2, 207 - 215, 31.12.2019

Süheyla Ünal , Mustafa Karakaplan , Erdinç Öz , İsmet Yılmaz Serdar Altın Ali Bayri

Abstract

In order to find some clues as to why clozapine is a
more effective drug than the sertindole and quetiapine, we investigated the
molecular structures of these three molecules and calculated their structural
properties by Density Functional Theory (DFT) technique. In this article, we
suggested that clozapine has different binding possibilities depending on the
dopamine level in the medium. If so, it can be understood why clozapine is more
effective in resolving clinical problems caused by different dopamine levels in
the frontal and subcortical regions. To test this hypothesis, we measured the
binding of three drugs to D₁ and D₂ dopamine receptors by
molecular docking. We found that clozapine had a greater potential for binding
with D₁ and D₂ receptors. We suggested that this feature
might give clozapine a higher therapeutic effect.

Keywords

Dopamine, molecular docking, clozapine, schizophrenia

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