Monoamine transporter structure, function, dynamics, and drug discovery: a computational perspective. (Q36331487)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22918625%20AND%20SRC:MED&resulttype=core&format=json

11 February 2020

title

Monoamine transporter structure, function, dynamics, and drug discovery: a computational perspective (English)

1 reference

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11 February 2020

1 reference

3

1 reference

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11 February 2020

author name string

Sankar Manepalli

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22918625%20AND%20SRC:MED&resulttype=core&format=json

11 February 2020

Christopher K Surratt

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22918625%20AND%20SRC:MED&resulttype=core&format=json

11 February 2020

Tammy L Nolan

series ordinal

4

1 reference

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11 February 2020

language of work or name

English

0 references

publication date

24 August 2012

1 reference

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11 February 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22918625%20AND%20SRC:MED&resulttype=core&format=json

11 February 2020

volume

14

1 reference

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11 February 2020

issue

4

1 reference

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11 February 2020

page(s)

820-831

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22918625%20AND%20SRC:MED&resulttype=core&format=json

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

11 February 2020

cites work

1 reference

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Unbiased simulations reveal the inward-facing conformation of the human serotonin transporter and Na(+) ion release

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Identification of a novel selective serotonin reuptake inhibitor by coupling monoamine transporter-based virtual screening and rational molecular hybridization

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Discovery of novel selective serotonin reuptake inhibitors through development of a protein-based pharmacophore.

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Cytoplasmic permeation pathway of neurotransmitter transporters

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Molecular determinants for selective recognition of antidepressants in the human serotonin and norepinephrine transporters

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Substrate-modulated gating dynamics in a Na+-coupled neurotransmitter transporter homologue

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Interaction of tyrosine 151 in norepinephrine transporter with the 2β group of cocaine analog RTI-113.

30 September 2017

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The substrate-driven transition to an inward-facing conformation in the functional mechanism of the dopamine transporter

30 September 2017

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Reconstructing a chloride-binding site in a bacterial neurotransmitter transporter homologue

30 September 2017

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The high-affinity binding site for tricyclic antidepressants resides in the outer vestibule of the serotonin transporter

30 September 2017

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The binding sites for benztropines and dopamine in the dopamine transporter overlap.

30 September 2017

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Conformational flexibility of transmembrane helix VII of the human serotonin transporter impacts ion dependence and transport.

30 September 2017

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Receptor-Based Discovery of a Plasmalemmal Monoamine Transporter Inhibitor via High Throughput Docking and Pharmacophore Modeling

30 September 2017

1 reference

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The N terminus of monoamine transporters is a lever required for the action of amphetamines

30 September 2017

1 reference

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Bivalent phenethylamines as novel dopamine transporter inhibitors: evidence for multiple substrate-binding sites in a single transporter.

30 September 2017

1 reference

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Comparison of human solute carriers

30 September 2017

1 reference

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Mutational mapping and modeling of the binding site for (S)-citalopram in the human serotonin transporter.

30 September 2017

1 reference

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Mechanism for cocaine blocking the transport of dopamine: insights from molecular modeling and dynamics simulations

30 September 2017

1 reference

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Antidepressant specificity of serotonin transporter suggested by three LeuT-SSRI structures

30 September 2017

1 reference

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Binding of an octylglucoside detergent molecule in the second substrate (S2) site of LeuT establishes an inhibitor-bound conformation

30 September 2017

1 reference

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Location of the antidepressant binding site in the serotonin transporter: importance of Ser-438 in recognition of citalopram and tricyclic antidepressants.

30 September 2017

1 reference

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A juxtamembrane mutation in the N terminus of the dopamine transporter induces preference for an inward-facing conformation.

30 September 2017

1 reference

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Computational approaches for the study of serotonin and its membrane transporter SERT: implications for drug design in neurological sciences

30 September 2017

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A competitive inhibitor traps LeuT in an open-to-out conformation

30 September 2017

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Structural determinants of species-selective substrate recognition in human and Drosophila serotonin transporters revealed through computational docking studies

30 September 2017

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The binding sites for cocaine and dopamine in the dopamine transporter overlap

30 September 2017

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KEGG Atlas mapping for global analysis of metabolic pathways

30 September 2017

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Binding of serotonin to the human serotonin transporter. Molecular modeling and experimental validation.

30 September 2017

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Studies on the SAR and pharmacophore of milnacipran derivatives as monoamine transporter inhibitors

30 September 2017

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Pharmacophore design and database searching for selective monoamine neurotransmitter transporter ligands

30 September 2017

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Mechanism of chloride interaction with neurotransmitter:sodium symporters.

30 September 2017

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How dopamine transporter interacts with dopamine: insights from molecular modeling and simulation

30 September 2017

1 reference

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LeuT-desipramine structure reveals how antidepressants block neurotransmitter reuptake

30 September 2017

1 reference

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Antidepressant binding site in a bacterial homologue of neurotransmitter transporters

30 September 2017

1 reference

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Identification of a chloride ion binding site in Na+/Cl -dependent transporters.

30 September 2017

1 reference

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Lessons from lactose permease

30 September 2017

1 reference

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Three-dimensional models of neurotransmitter transporters and their interactions with cocaine and S-citalopram

30 September 2017

1 reference

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Getting the message across: a recent transporter structure shows the way.

30 September 2017

1 reference

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Definition of an uptake pharmacophore of the serotonin transporter through 3D-QSAR analysis

30 September 2017

1 reference

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Crystal structure of a bacterial homologue of Na+/Cl--dependent neurotransmitter transporters

30 September 2017

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ZINC--a free database of commercially available compounds for virtual screening

30 September 2017

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"Teaching old drugs to kill new bugs": structure-based discovery of anti-SARS drugs

30 September 2017

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Serotonin transporter missense mutation associated with a complex neuropsychiatric phenotype

30 September 2017

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Coronavirus main proteinase (3CLpro) structure: basis for design of anti-SARS drugs

30 September 2017

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Pharmacophore-based discovery of substituted pyridines as novel dopamine transporter inhibitors

30 September 2017

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Monoamine transporter gene structure and polymorphisms in relation to psychiatric and other complex disorders

30 September 2017

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Discovery of small-molecule inhibitors of Bcl-2 through structure-based computer screening

30 September 2017

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Familial orthostatic tachycardia due to norepinephrine transporter deficiency

30 September 2017

1 reference

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30 September 2017

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Pharmacophore-based discovery of 3,4-disubstituted pyrrolidines as a novel class of monoamine transporter inhibitors.

30 September 2017

1 reference

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Serotonergic dysfunction, negative mood states, and response to alcohol

30 September 2017

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30 September 2017

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Leishmania major: molecular modeling of cysteine proteases and prediction of new nonpeptide inhibitors

30 September 2017

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Osmochemistry of solute translocation

30 September 2017

1 reference

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

30 September 2017

1 reference

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Putative drug binding conformations of monoamine transporters

30 September 2017

1 reference

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Structure-based design of parasitic protease inhibitors

29 June 2018

1 reference

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Neurotransmitter/sodium symporter orthologue LeuT has a single high-affinity substrate site

29 June 2018

1 reference

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Molecular dynamics of leucine and dopamine transporter proteins in a model cell membrane lipid bilayer

22 September 2018

1 reference

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chi-Conopeptide pharmacophore development: toward a novel class of norepinephrine transporter inhibitor (Xen2174) for pain

22 September 2018

1 reference

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Structure and localisation of drug binding sites on neurotransmitter transporters.

22 September 2018

1 reference

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The molecular interactions of buspirone analogues with the serotonin transporter

22 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3475841

The mechanism of a neurotransmitter:sodium symporter--inward release of Na+ and substrate is triggered by substrate in a second binding site

22 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3475841

Coordination of Na(+) by monoamine ligands in dopamine, norepinephrine, and serotonin transporters

22 September 2018

1 reference

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Dopamine transporter comparative molecular modeling and binding site prediction using the LeuT(Aa) leucine transporter as a template.

22 September 2018

1 reference

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Homology modeling of the serotonin transporter: insights into the primary escitalopram-binding site.

22 September 2018

1 reference

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Molecular model of the neural dopamine transporter

22 September 2018

1 reference

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Dissociation of high-affinity cocaine analog binding and dopamine uptake inhibition at the dopamine transporter

22 September 2018

1 reference

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Discovery of substituted 3,4-diphenyl-thiazoles as a novel class of monoamine transporter inhibitors through 3-D pharmacophore search using a new pharmacophore model derived from mazindol

22 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3475841

A putative three-dimensional arrangement of the human serotonin transporter transmembrane helices: a tool to aid experimental studies

22 September 2018

1 reference

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Cysteine proteinases from distinct cellular compartments are recruited to phagocytic vesicles by Entamoeba histolytica

22 September 2018

1 reference

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Structure-based approach for the discovery of bis-benzamidines as novel inhibitors of matriptase

22 September 2018

1 reference

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Single nucleotide polymorphisms distinguish multiple dopamine transporter alleles in primates: implications for association with attention deficit hyperactivity disorder and other neuropsychiatric disorders

22 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3475841

Reduced levels of norepinephrine transporters in the locus coeruleus in major depression.

22 September 2018

1 reference

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A putative model of the dopamine transporter.

22 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3475841

χ-Conotoxin and Tricyclic Antidepressant Interactions at the Norepinephrine Transporter Define a New Transporter Model

22 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3475841

A comprehensive structure-based alignment of prokaryotic and eukaryotic neurotransmitter/Na+ symporters (NSS) aids in the use of the LeuT structure to probe NSS structure and function

5 December 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22918625

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

A homology model of SERT based on the LeuTAa template

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22918625

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Molecular dynamics simulations of Na+/Cl(-)-dependent neurotransmitter transporters in a membrane-aqueous system

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22918625

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1208/S12248-012-9391-0

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22918625%20AND%20SRC:MED&resulttype=core&format=json

Dimensions Publication ID

11 February 2020

0 references

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22918625%20AND%20SRC:MED&resulttype=core&format=json

11 February 2020

PubMed publication ID

22918625

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22918625%20AND%20SRC:MED&resulttype=core&format=json