3D QSAR Study of 2-Methoxyphenylpiperazinylakanamides as 5-Hydroxytryptamine (Serotonin) Receptor 7 Antagonists

Abstract

5-hydroxytryptamine (serotonin) receptor ($5-HT_7R$ 수식 이미지) 7 is one of G-Protein coupled receptors, which is activated by the neurotransmitter Serotonin. After activation by serotonin, $5-HT_7$ 수식 이미지 activates the production of the intracellular signaling molecule cyclic AMP. $5-HT_7$ 수식 이미지 receptor has been found to be involved in the pathophysiology of various disorders. It is reported that $5-HT_7$ 수식 이미지 receptor antagonists can be used as antidepressant agents. In this study, we report the important structural and chemical parameters for 2-methoxyphenylpiperazinylakanamides as $5-HT_7R$ 수식 이미지 inhibitors. A 3D QSAR study based on comparative molecular field analysis (CoMFA) was performed. The best predictions were obtained for the best CoMFA model with $q^2$ 수식 이미지 of 0.594 with 6 components, $r^2$ 수식 이미지 of 0.986, Fisher value as 60.607, and an estimated standard error of 0.043. The predictive ability of the test set was 0.602. Results obtained the CoMFA models suggest that the data are well fitted and have high predictive ability. The contour maps are generated and studied. The contour analyses may serve as tool in the future for designing of novel and more potent $5-HT_7R$ 수식 이미지 derivatives.