This dataset was curated from the ChEMBL database and further enriched with RDKit-calculated molecular properties. It serves as a valuable resource for cheminformatics and machine learning tasks, particularly in drug-target interaction studies.

The dataset comprises around 3000 instances, each representing a unique molecule and its interaction with dopamine receptors. The key features include:

• ChEMBL ID and SMILES: Molecular identifiers and structure information.
• Experimental Data: EC50 values (nM), pEC50 values (log-transformed potency measure).
• Assay Type and Target Name: Experimental context and receptor subtype targeted - D1, D2, D3, D4 and D5.
• Molecular Descriptors:
• MW: Molecular Weight of the molecule in Da.
• LogP (Lipophilicity): Indicating hydrophobicity.
• H_Donors and H_Acceptors: Indicators of hydrogen bonding capacity.
• TPSA (Topological Polar Surface Area): Important for bioavailability.
• Ring_Count and Rotatable_Bonds: Measures of molecular complexity.

Background Though the dysfunction of central dopaminergic system has been proposed, the etiology or pathogenesis of schizophrenia is still uncertain partly due to limited accessibility to dopamine receptor. The purpose of this study was to define whether or not the easily accessible dopamine receptors of peripheral lymphocytes can be the peripheral markers of schizophrenia. Results 44 drug-medicated schizophrenics for more than 3 years, 28 drug-free schizophrenics for more than 3 months, 15 drug-naïve schizophrenic patients, and 31 healthy persons were enrolled. Sequential reverse transcription and quantitative polymerase chain reaction of the mRNA were used to investigate the expression of D3 and D5 dopamine receptors in peripheral lymphocytes. The gene expression of dopamine receptors was compared in each group. After taking antipsychotics in drug-free and drug-naïve patients, the dopamine receptors of peripheral lymphocytes were sequentially studied 2nd week and 8th week after medication. In drug-free schizophrenics, D3 dopamine receptor mRNA expression of peripheral lymphocytes significantly increased compared to that of controls and drug-medicated schizophrenics, and D5 dopamine receptor mRNA expression increased compared to that of drug-medicated schizophrenics. After taking antipsychotics, mRNA of dopamine receptors peaked at 2nd week, after which it decreases but the level was above baseline one at 8th week. Drug-free and drug-naïve patients were divided into two groups according to dopamine receptor expression before medications, and the group of patients with increased dopamine receptor expression had more severe psychiatric symptoms. Conclusions These results reveal that the molecular biologically-determined dopamine receptors of peripheral lymphocytes are reactive, and that increased expression of dopamine receptor in peripheral lymphocyte has possible clinical significance for subgrouping of schizophrenis.

Dopaminergic neurons of the substantia nigra exist in a persistent state of vulnerability resulting from high baseline oxidative stress, high energy demand, and broad unmyelinated axonal arborizations. Impairments in the storage of dopamine compound this stress due to cytosolic reactions that transform the vital neurotransmitter into an endogenous neurotoxicant, and this toxicity is thought to contribute to the dopamine neuron degeneration that occurs Parkinson’s disease. We have previously identified synaptic vesicle glycoprotein 2C (SV2C) as a modifier of vesicular dopamine function, demonstrating that genetic ablation of SV2C in mice results in decreased dopamine content and evoked dopamine release in the striatum. Here, we adapted a previously published in vitro assay utilizing false fluorescent neurotransmitter 206 (FFN206) to visualize how SV2C regulates vesicular dopamine dynamics and identified that SV2C promotes the uptake and retention of FFN206 within vesicles. In addition, w..., , , # Synaptic vesicle glycoprotein 2C enhances vesicular storage of dopamine and counters dopaminergic toxicity

This dataset contains the raw data corresponding to the manuscript Synaptic vesicle glycoprotein 2C enhances vesicular storage of dopamine and counters dopaminergic toxicity. Inclusive in this dataset is the following: 1) a GraphPad Prism file containing all of the data found in the manuscript with statistical analysis and graphs; 2) individual .csv files containing the data for each graph of data found in the manuscript including a separate .csv for corresponding statistics (files ending in _stats); 3) individual PDFs of graphs generated in GraphPad Prism; and 4) raw image files for microscopy and Western blots. These data demonstrate the principal findings for the manuscript that the protein SV2C: 1) enhances vesicular storage of dopamine and dopamine analogues (e.g., FFN206 and MPP+), and 2) confers neuroprotection against dopaminergic toxicity.

Description of the d...

The substantia nigra pars reticulata (SNr), a key basal ganglia output nucleus, is modulated by dopamine (DA), believed to be released locally from midbrain dopamine neurons. Although DA has been proposed to regulate GABA release from medium spiny neurons (MSN) terminals via presynaptic D1 receptors (D1Rs), the precise mechanisms remain unclear. Using presynaptic optical recordings of synaptic vesicle fusion, calcium influx in D1-MSN synapses, together with postsynaptic patch-clamp recordings from SNr neurons, we found that DA inhibits D1-MSN GABA release in a frequency-dependent manner. Surprisingly, this effect was independent of DA receptors and instead required 5-HT1B receptor activation. Using two-photon serotonin biosensor imaging in slices and fiber photometry in vivo, we demonstrate that DA enhances extracellular serotonin in the SNr. Our results suggest that serotonin mediates DAergic control of basal ganglia output and contributes to the therapeutic actions of dopaminergic med..., , , # Data from: Dopamine and serotonin co-transmission filters striatonigral synaptic activity via 5-HT1B receptor activation

Dataset DOI: 10.5061/dryad.2z34tmpzx

Description of the data and file structure

This dataset contains the source data for all figures.

Each CSV file corresponds to one figure panel as indicated by the filename.

- Columns:

"x" = time or condition

"y" = measurement (e.g., normalized fluorescence, ΔF/F, etc.)

"sem" = standard error of the mean (if applicable)

"n" = number of observations (if applicable)

For details on experimental design, see Materials and Methods in the manuscript.

Contact: Anders Borgkvist, Department of Neuroscience, Karolinska Institutet, anders.borgkvist@ki.se

Files and variables

File: Dataset_Molinari_etal.zip

Root Contents

• README.txt — Text note/README.

Fiber_photometry_analysis_code

• README_FP.txt

– Type: Text file

• ann_5HT_grab.m...

This dataset is used by the research Single-cell genomic profiling of human dopamine neurons identifies a population that selectively degenerates in Parkinson’s disease, it contains the human digital gene expression matrix and the macaque slide seqv2 dataset publish by the authors. - The data for Cross Species analysis are not included.

You can check the result produced by research:

1. Single Cell Analysis
2. Slide Seq

See the file README.docx for description of data files.

Biological Magnetic Resonance Bank Entry bmse000933: Dopamine

This repository includes dataset and python scripts for figure and data analysis of the study "Sequence termination cues drive habit-like strategy via dopamine-mediated processes". This repository is composed of 3 folders; datasets, python scripts and python functions.

Detailed methods can be found in the manuscript.

In this study, we characterized dynamics of novelty exploration using multi-point tracking (DeepLabCut) and behavioral segmentation (MoSeq). Mice were habituated in an arena, and then a object was placed at the corner of the arena. We compared 4 groups of mice: one with presentation of a novel object (stimulus novelty), one with a presentation of a familiar object (contextual novelty), one with presentation of a novel object after ablation of dopamine neuorns that project to the tail of the striatum (TS), and one with presentation of a novel object after sham surgery. With a separate group of mice, dopamine activity in TS was recorded during novelty exploration.

A collection of 4 brain maps. Each brain map is a 3D array of values representing properties of the brain at different locations.

Collection description

22 Healthy adults underwent a PET scan with the high-affinity dopamine D2-like receptor tracer [18F]fallypride. Participants also completed a delay discounting task during an fMRI scan. A hyperbolic discounting function was used to a parametric regressor representing the subjective value of the chosen option. Ventral striatum dopamine D2 receptor availability was correlated with subjective value parameter estimates.

Background Dopamine was shown to stimulate the perivitelline fluid secretion by the albumen gland. Even though the albumen gland has been shown to contain catecholaminergic fibers and its innervation has been studied, the type of catecholamines, distribution of fibers and the precise source of this neural innervation has not yet been deduced. This study was designed to address these issues and examine the correlation between dopamine concentration and the sexual status of snails.

   Results
   Dopaminergic neurons were found in all ganglia except the pleural and right parietal, and their axons in all ganglia and major nerves of the brain. In the albumen gland dopaminergic axons formed a nerve tract in the central region, and a uniform net in other areas. Neuronal cell bodies were present in the vicinity of the axons. Dopamine was a major catecholamine in the brain and the albumen gland. No significant difference in dopamine quantity was found when the brain and the albumen gland of randomly mating, virgin and first time mated snails were compared.


   Conclusions
   Our results represent the first detailed studies regarding the catecholamine innervation and quantitation of neurotransmitters in the albumen gland. In this study we localized catecholaminergic neurons and axons in the albumen gland and the brain, identified these neurons and axons as dopaminergic, reported monoamines present in the albumen gland and the brain, and compared the dopamine content in the brain and the albumen gland of randomly mating, virgin and first time mated snails.

Effect of altered production and storage of dopamine on development and behavior in C. elegans

https://doi.org/10.5061/dryad.hhmgqnkpf

This dataset contains the raw data corresponding to the manuscript "Effect of altered production and storage of dopamine on development and behavior in C. elegans." The data presented here was in effort to understand and characterize the role of dopamine neurotransmission in C. elegans development utilizing genetic models. A novel strain was generated that lacks the protein cat-1, which is responsible for vesicular sequestration of dopamine, and over-expresses the gene cat-2, which is responsible for dopamine synthesis. Thus, this novel strain (MBIA) has compounded effects on the amount of cytosolic dopamine. We characterized this strain, the parent strains used to generate MBIA, and wild-type C. elegans to determine what role dopamine synthesis and sequestration has on body size, development through lar...

Four groups of this dataset were used as negative samples for testing subtype selectivity of our developed multi-label machine learning models.

The present dataset provides the quantitative regional and laminar distribution of key molecules in signal transfer, namely the dopamine receptors D₁ and D₂, as well as the dopamine uptake sites in five selected rostrocaudal levels of the rat brain. The receptors were visualized by means of quantitative in vitro receptor autoradiography and the selective tritiated ligands SCH 23390, racloprid and mazindol. The high spatial resolution of this method enables quantification of receptor densities in anatomically identifiable cortical structures as detailed as the hippocampal regions and layers, or subcortical structures such as amygdalar nuclei. We also provide information about image data registration to the Waxholm Sprague Dawley rat brain atlas.

Here are a few use cases for this project:

The provided information seems to be insufficient to provide detailed use-cases. The model name, "dopamine_th" implies a possible connection to neurobiology, specifically, to dopamine neurotransmitters. Yet, the "th classes including th" part is unclear, as "th" is not a known term in either computer vision, biology, or bioinformatics domain. It might be a reference to certain classes in your data set, but without further context or clarification, it's challenging to provide accurate use cases. The image of a grey background also doesn't provide significant context. Could you please provide further details concerning this "th" term and more context related to the computer vision model?

3,4-Methylenedioxymethamphetamine (MDMA, ecstasy) is a recreational substance also investigated as medication for posttraumatic stress disorder. Dopamine (DA) system stimulation likely contributes to the acute mood effects of amphetamines, including MDMA. Genetic variants, such as single-nucleotide polymorphisms (SNPs), and polymorphic regions of the DA system genes may in part explain interindividual differences in the acute responses to MDMA in humans. We characterized the effects of common genetic variants within genes coding for key players in the DA system including the dopamine D2 receptor (DRD2/ANKK1 rs1800497, DRD2 rs6277, and rs107959), the dopamine transporter (DAT1 rs28363170, rs3836790, rs6347, rs11133767, rs11564774, rs460000, and rs463379), and dopamine D4 receptor [DRD4, variable-number tandem repeat (VNTR)] on the subjective and autonomic response to MDMA (125 mg) in pooled data from randomized, placebo-controlled, crossover studies in a total of 149 healthy subjects. Plasma concentrations of MDMA were used as covariate in the analysis to control for individual pharmacokinetic (metabolic and weight) differences. None of the tested genetic polymorphisms within the DA system altered effects of MDMA when adjusting for multiple comparisons. Genetic variations in genes coding for players of the DA system are unlikely to explain interindividual variations in the acute effects of MDMA in humans.

Motor deficits observed in Parkinson’s disease (PD) are caused by the loss of dopaminergic neurons and the subsequent dopamine depletion in different brain areas. The most common therapy to treat motor symptoms for patients with this disorder is the systemic intake of L-DOPA that increases dopamine levels in all the brain, making it difficult to discern the main locus of dopaminergic action in the alleviation of motor control. Caged compounds are molecules with the ability to release neuromodulators locally in temporary controlled conditions using light. In the present study, we measured the turning behavior of unilateral dopamine-depleted mice before and after dopamine uncaging. The optical delivery of dopamine in the striatum of lesioned mice produced contralateral turning behavior that resembled, to a lesser extent, the contralateral turning behavior evoked by a systemic injection of apomorphine. Contralateral turning behavior induced by dopamine uncaging was temporarily tied to the transient elevation of dopamine concentration and was reversed when dopamine decreased to pathological levels. Remarkably, contralateral turning behavior was tuned by changing the power and frequency of light stimulation, opening the possibility to modulate dopamine fluctuations using different light stimulation protocols. Moreover, striatal dopamine uncaging recapitulated the motor effects of a low concentration of systemic L-DOPA, but with better temporal control of dopamine levels. Finally, dopamine uncaging reduced the pathological synchronization of striatal neuronal ensembles that characterize unilateral dopamine-depleted mice. We conclude that optical delivery of dopamine in the striatum resembles the motor effects induced by systemic injection of dopaminergic agonists in unilateral dopamine-depleted mice. Future experiments using this approach could help to elucidate the role of dopamine in different brain nuclei in normal and pathological conditions.

Motor deficits observed in Parkinson’s disease (PD) are caused by the loss of dopaminergic neurons and the subsequent dopamine depletion in different brain areas. The most common therapy to treat motor symptoms for patients with this disorder is the systemic intake of L-DOPA that increases dopamine levels in all the brain, making it difficult to discern the main locus of dopaminergic action in the alleviation of motor control. Caged compounds are molecules with the ability to release neuromodulators locally in temporary controlled conditions using light. In the present study, we measured the turning behavior of unilateral dopamine-depleted mice before and after dopamine uncaging. The optical delivery of dopamine in the striatum of lesioned mice produced contralateral turning behavior that resembled, to a lesser extent, the contralateral turning behavior evoked by a systemic injection of apomorphine. Contralateral turning behavior induced by dopamine uncaging was temporarily tied to the transient elevation of dopamine concentration and was reversed when dopamine decreased to pathological levels. Remarkably, contralateral turning behavior was tuned by changing the power and frequency of light stimulation, opening the possibility to modulate dopamine fluctuations using different light stimulation protocols. Moreover, striatal dopamine uncaging recapitulated the motor effects of a low concentration of systemic L-DOPA, but with better temporal control of dopamine levels. Finally, dopamine uncaging reduced the pathological synchronization of striatal neuronal ensembles that characterize unilateral dopamine-depleted mice. We conclude that optical delivery of dopamine in the striatum resembles the motor effects induced by systemic injection of dopaminergic agonists in unilateral dopamine-depleted mice. Future experiments using this approach could help to elucidate the role of dopamine in different brain nuclei in normal and pathological conditions.

Corpus-verified analysis of 149 PubMed studies on Dopamine D2 Receptor Antagonists. Includes evidence scores, research domain classification, study type breakdown, and velocity metrics.