Exploring the Inhibitory Mechanism of Approved Selective Norepinephrine Reuptake Inhibitors and Reboxetine Enantiomers by Molecular Dynamics Study

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Identification of the inhibitory mechanism of FDA approved selective serotonin reuptake inhibitors: an insight from molecular dynamics simulation study

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Binding of the Multimodal Antidepressant Drug Vortioxetine to the Human Serotonin Transporter

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The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities

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Corticotropin releasing factor up-regulates the expression and function of norepinephrine transporter in SK-N-BE (2) M17 cells

(2015) Jingjing Huang et al.   JOURNAL OF NEUROCHEMISTRY

X-ray structures of Drosophila dopamine transporter in complex with nisoxetine and reboxetine

(2015) Aravind Penmatsa et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Therapeutic target database update 2016: enriched resource for bench to clinical drug target and targeted pathway information

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X-ray structures of Drosophila dopamine transporter in complex with nisoxetine and reboxetine

(2015) Aravind Penmatsa et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Binding site residues control inhibitor selectivity in the human norepinephrine transporter but not in the human dopamine transporter

(2015) Jacob Andersen et al.   Scientific Reports

Insights to ligand binding to the monoamine transporters—from homology modeling to LeuBAT and dDAT

(2015) Heidi Koldsø et al.   Frontiers in Pharmacology

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Recent Advances in Computer-Aided Drug Design as Applied to Anti-Influenza Drug Discovery

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Identification of Novel Serotonin Transporter Compounds by Virtual Screening

(2014) Mari Gabrielsen et al.   Journal of Chemical Information and Modeling

Lipid14: The Amber Lipid Force Field

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A systematic review of the efficacy of venlafaxine for the treatment of fibromyalgia

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(2014) Sylvia Tippmann   NATURE

A mechanism for intracellular release of Na+ by neurotransmitter/sodium symporters

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Molecular Modeling Study on the Allosteric Inhibition Mechanism of HIV-1 Integrase by LEDGF/p75 Binding Site Inhibitors

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Future Directions for Serotonin and Antidepressants

(2013) Francesc Artigas   ACS Chemical Neuroscience

Combining Structure-Based Pharmacophore andIn SilicoApproaches to Discover Novel Selective Serotonin Reuptake Inhibitors

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Triple reuptake inhibitors: a patent review (2006 – 2012)

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(2013) Hui Wang et al.   NATURE

X-ray structure of dopamine transporter elucidates antidepressant mechanism

(2013) Aravind Penmatsa et al.   NATURE

Binding of the Amphetamine-like 1-Phenyl-piperazine to Monoamine Transporters

(2012) Kasper Severinsen et al.   ACS Chemical Neuroscience

Interaction of Antidepressants with the Serotonin and Norepinephrine Transporters

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X-ray structures of LeuT in substrate-free outward-open and apo inward-open states

(2012) Harini Krishnamurthy et al.   NATURE

Substrate binding and translocation of the serotonin transporter studied by docking and molecular dynamics simulations

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(2011) A. Schlessinger et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

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Clinically Relevant Doses of Methylphenidate Significantly Occupy Norepinephrine Transporters in Humans In Vivo

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Estimation of binding rate constants using a simultaneous mixed-effects method: application to monoamine transporter reuptake inhibitor reboxetine

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Aurora-A kinase inhibitor scaffolds and binding modes

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1-(Indolin-1-yl)-1-phenyl-3-propan-2-olamines as Potent and Selective Norepinephrine Reuptake Inhibitors

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The Two Enantiomers of Citalopram Bind to the Human Serotonin Transporter in Reversed Orientations

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CHARMM-GUI Membrane Builder for Mixed Bilayers and Its Application to Yeast Membranes

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Recent advances in the understanding of the interaction of antidepressant drugs with serotonin and norepinephrine transporters

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Binding and Orientation of Tricyclic Antidepressants within the Central Substrate Site of the Human Serotonin Transporter

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(2009) George I. Papakostas   JOURNAL OF CLINICAL PSYCHIATRY

1- or 3-(3-Amino-2-hydroxy-1-phenyl propyl)-1,3-dihydro-2H-benzimidazol-2-ones: Potent, Selective, and Orally Efficacious Norepinephrine Reuptake Inhibitors†‡

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Mechanism for Cocaine Blocking the Transport of Dopamine: Insights from Molecular Modeling and Dynamics Simulations

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Update of TTD: Therapeutic Target Database

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Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations

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Binding of Serotonin to the Human Serotonin Transporter. Molecular Modeling and Experimental Validation

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The molecular neurobiology of depression

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Dual- and triple-acting agents for treating core and co-morbid symptoms of major depression: novel concepts, new drugs

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Mechanism for alternating access in neurotransmitter transporters

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A Competitive Inhibitor Traps LeuT in an Open-to-Out Conformation

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