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

Authors : Süheyla ÜNAL, Mustafa KARAKAPLAN, Erdinç ÖZ, İsmet YILMAZ, Serdar ALTIN, Ali BAYRİ

Pages : 207-215

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Publication Date : 2019-12-31

Article Type : Research Paper

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 D 1 and D 2 dopamine receptors by molecular docking. We found that clozapine had a greater potential for binding with D 1 and D 2 receptors. We suggested that this feature might give clozapine a higher therapeutic effect.
Keywords : Dopamine, molecular docking, clozapine, schizophrenia

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