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ISSN: 2637-4706

Drug Designing & Intellectual Properties International Journal

Review Article(ISSN: 2637-4706)

QSAR and Molecular Docking Studies of Serotonin Derivatives

Volume 3 - Issue 1

Teodora E Harsa*, Alexandra M Harsa and Mircea V Diudea

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    • Faculty of Chemistry and Chemical Engineering, Babes-Bolyai University, Romania

    *Corresponding author:Teodora E Harsa, Faculty of Chemistry and Chemical Engineering, Babes-Bolyai University, Romania

Received: May 07, 2019;   Published: May 13, 2019

DOI: 10.32474/DDIPIJ.2018.03.000154

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Abstract

Serotonin, 5-hydroxytryptamine, represents a class of monoamine neurontransmitters, all of which having a chemical template comprised of a basic amino group separated from an aromatic nucleus by a two-carbon aliphatic chain. In this paper we present a docking study on serotonin targeting the proteins 3ADX and 2YX8, respectively, performed by AutoDock Vina. A set of thirtyfive serotonins, downloaded from PubChem, was modeled, within the hypermolecule strategy; the predicted activity was LD50 and prediction was done on similarity clusters with the leaders chosen as the best docked ligands on the Peroxisome proliferatoractivated receptor gamma. It was concluded that LD50 of the studied serotonins is not directly influenced by their binding energies to the target proteins.

Keywords:Serotonin; Docking; Binding affinity; 3ADX; 2YX8; Hypermolecule; LD50; QSAR

Abstract| Introduction| Docking Study| Computational| QSAR Study| Conclusion| Acknowledgement| References|

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