ArticleJournal of molecular modeling2009
Structure and localisation of drug binding sites on neurotransmitter transporters.
Article in Journal of molecular modeling, 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
What it found
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Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
17 citing papers in PubMed, 33 citations in OpenAlex.
- Unlocking the Potential of High-Quality Dopamine Transporter Pharmacological Data: Advancing Robust Machine Learning-Based QSAR Modeling.Advances in neurobiology · 2025Review
- Assessment of Paroxetine Molecular Interactions with Selected Monoamine and γ-Aminobutyric Acid Transporters.International journal of molecular sciences · 2021Article
- Paroxetine-Overview of the Molecular Mechanisms of Action.International journal of molecular sciences · 2021Review
- Structure Modeling of the Norepinephrine Transporter.Biomolecules · 2020Article
- In silico modification of oseltamivir as neuraminidase inhibitor of influenza A virus subtype H1N1.Journal of biomedical research · 2015Article
- Comparative modeling of the human monoamine transporters: similarities in substrate binding.ACS chemical neuroscience · 2013Article
- Monoamine transporter structure, function, dynamics, and drug discovery: a computational perspective.The AAPS journal · 2012Review
- Characterization of [³H]CFT binding to the norepinephrine transporter suggests that binding of CFT and nisoxetine is not mutually exclusive.Journal of neuroscience methods · 2012Article
- Molecular mechanism of serotonin transporter inhibition elucidated by a new flexible docking protocol.European journal of medicinal chemistry · 2012Article
- A short update on the structure of drug binding sites on neurotransmitter transporters.BMC research notes · 2011Article
- Ionic channels as targets for drug design: a review on computational methods.Pharmaceutics · 2011Article
- Clomipramine-induced serum prolactin as a marker for serotonin and dopamine turnover: results of an open label study.European archives of psychiatry and clinical neuroscience · 2011Article
- Molecular dynamics simulation of oseltamivir resistance in neuraminidase of avian influenza H5N1 virus.Journal of molecular modeling · 2011Article
- Site-directed mutations near transmembrane domain 1 alter conformation and function of norepinephrine and dopamine transporters.Molecular pharmacology · 2011Article
- Structure-activity relationships for a novel series of citalopram (1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile) analogues at monoamine transporters.Journal of medicinal chemistry · 2010Article
- GABA transporter lysine 448: a key residue for tricyclic antidepressants interaction.Cellular and molecular life sciences : CMLS · 2009Article
- Antidepressant specificity of serotonin transporter suggested by three LeuT-SSRI structures.Nature structural & molecular biology · 2009Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The dopamine (DAT), serotontin (SERT) and noradrenalin (NET) transporters are molecular targets for different classes of psychotropic drugs. The crystal structure of Aquifex aeolicus LeuT(Aa) was used as a template for molecular modeling of DAT, SERT and NET, and two putative drug binding sites (pocket 1 and 2) in each transporter were identified. Cocaine was docked into binding pocket 1 of DAT, corresponding to the leucine binding site in LeuT(Aa), which involved transmembrane helices (TMHs) 1, 3, 6 and 8. Clomipramine was docked into binding pocket 2 of DAT, involving TMHs 1, 3, 6, 10 and 11, and extracellular loops 4 and 6, corresponding to the clomipramine binding site in a crystal structure of a LeuT(Aa)-clomipramine complex. The structures of the proposed cocaine- and tricyclic antidepressant-binding sites may be of particular interest for the design of novel DAT interacting ligands.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.