Abstract
Dopamine (D2) receptors are known drug targets for various antipsychotics used in Schizophrenia. Therefore, it is of interest to analyze the binding features of D2 receptors with known olanzapine derivatives for further consideration using molecular docking and QSAR analysis. A 2D QSAR model was built using energy-based descriptors generated by docking as independent variable and known Ki value of Olanzapine derivatives with D2 Receptor as dependent variable. QSAR model provided coefficient of determination of r2 of 0.7 in multiple linear regression analysis. The predictive performance of QSAR model was assessed using different cross-validation procedures. Thus, data shows that a ligand-receptor binding interaction for D2 Receptor using a QSAR model is promising approach to design novel and potent inhibitors of D2 Receptor.
Highlights
In today world, mental disorders have become highly prevalent because of numerous reasons like urbanization, ambitious lifestyle and stressful environment [1]
Schizophrenia is a mental disorder characterized by distortions in thinking, perception, feels, behaviour and sense of self
It is of interest to analyze the binding features of D2 receptors with known olanzapine derivatives for further consideration using molecular docking and QSAR analysis
Summary
Mental disorders have become highly prevalent because of numerous reasons like urbanization, ambitious lifestyle and stressful environment [1]. Schizophrenia is a mental disorder characterized by distortions in thinking, perception, feels, behaviour and sense of self. It is of interest to analyze the binding features of D2 receptors with known olanzapine derivatives for further consideration using molecular docking and QSAR analysis.
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