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3D QSAR Study of 2-Methoxyphenylpiperazinylakanamides as 5-Hydroxytryptamine (Serotonin) Receptor 7 Antagonists
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  • Journal title : Journal of the Chosun Natural Science
  • Volume 9, Issue 2,  2016, pp.128-135
  • Publisher : The Research Institute of Chosun Natural Science
  • DOI : 10.13160/ricns.2016.9.2.128
 Title & Authors
3D QSAR Study of 2-Methoxyphenylpiperazinylakanamides as 5-Hydroxytryptamine (Serotonin) Receptor 7 Antagonists
Nagarajan, Santhosh Kumar; Madhavan, Thirumurthy;
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5-hydroxytryptamine (serotonin) receptor () 7 is one of G-Protein coupled receptors, which is activated by the neurotransmitter Serotonin. After activation by serotonin, activates the production of the intracellular signaling molecule cyclic AMP. receptor has been found to be involved in the pathophysiology of various disorders. It is reported that receptor antagonists can be used as antidepressant agents. In this study, we report the important structural and chemical parameters for 2-methoxyphenylpiperazinylakanamides as 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 of 0.594 with 6 components, 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 derivatives.
 Cited by
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