Cation-π interactions in serotonin: Conformational, electronic distribution, and energy decomposition analysis

Cation-π interactions in serotonin: Conformational, electronic distribution, and energy decomposition analysis

An adiabatic conformational analysis of serotonin (5-hydroxylryptamine, 5-HT) using quantum chemistry led to six stable conformers that can be either +gauche (Gp), -gauche (Gm), and anti (At) depending upon the value taken by ethylamine side chain and 5-hydroxyl group dihedral angles φ1, φ2, and φ4,...

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Bibliographic Details
Main Authors: Jaturong Pratuangdejkul, Pascale Jaudon, Claire Ducrocq, Wichit Nosoongnoen, Georges Alexandre Guerin, Marc Conti, Sylvain Loric, Jean Marie Launay, Philippe Manivet
Other Authors: Hopital Lariboisiere AP-HP
Format: Article
Published: 2018
Subjects:
Chemistry
Computer Science
Online Access:https://repository.li.mahidol.ac.th/handle/123456789/23139
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Institution: Mahidol University

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https://repository.li.mahidol.ac.th/handle/123456789/23139

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