ArticleJournal of computer-aided molecular design
Molecular model of the neural dopamine transporter.
Article in Journal of computer-aided molecular design. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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Who cites it
10 citing papers in PubMed, 33 citations in OpenAlex.
- Classic Studies on the Interaction of Cocaine and the Dopamine Transporter.Clinical psychopharmacology and neuroscience : the official scientific journal of the Korean College of Neuropsychopharmacology · 2015Article
- Monoamine transporters: insights from molecular dynamics simulations.Frontiers in pharmacology · 2015Review
- Monoamine transporter structure, function, dynamics, and drug discovery: a computational perspective.The AAPS journal · 2012Review
- Docking and scoring with ICM: the benchmarking results and strategies for improvement.Journal of computer-aided molecular design · 2012Article
- Structure and localisation of drug binding sites on neurotransmitter transporters.Journal of molecular modeling · 2009Article
- Different effects of selective dopamine uptake inhibitors, GBR 12909 and WIN 35428, on HIV-1 Tat toxicity in rat fetal midbrain neurons.Neurotoxicology · 2008Article
- The binding sites for cocaine and dopamine in the dopamine transporter overlap.Nature neuroscience · 2008Article
- Substrate binding and formation of an occluded state in the leucine transporter.Biophysical journal · 2008Article
- How dopamine transporter interacts with dopamine: insights from molecular modeling and simulation.Biophysical journal · 2007Article
- Recognition of psychostimulants, antidepressants, and other inhibitors of synaptic neurotransmitter uptake by the plasma membrane monoamine transporters.The AAPS journal · 2005Review
Corrections and comments
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The dopamine transporter (DAT) regulates the action of dopamine by reuptake of the neurotransmitter into presynaptic neurons, and is the main molecular target of amphetamines and cocaine. DAT and the Na+/H+ antiporter (NhaA) are secondary transporter proteins that carry small molecules across a cell membrane against a concentration gradient, using ion gradients as energy source. A 3-dimensional projection map of the E. coli NhaA has confirmed a topology of 12 membrane spanning domains, and was previously used to construct a 3-dimensional NhaA model with 12 trans-membrane alpha-helices (TMHs). The NhaA model, and site directed mutagenesis data on DAT, were used to construct a detailed 3-dimensional DAT model using interactive molecular graphics and empiric force field calculations. The model proposes a dopamine transport mechanism involving TMHs 1, 3, 4, 5, 7 and 11. Asp79, Tyr252 and Tyr274 were the primary cocaine binding residues. Binding of cocaine or its analogue, (-)-2beta-carbomethoxy-3beta-(4-fluorophenyl)tropane (CFT), seemed to lock the transporter in an inactive state, and thus inhibit dopamine transport. The present model may be used to design further experimental studies of the molecular structure and mechanisms of DAT and other secondary transporter proteins.
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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.