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873
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ShareScore release 0.9.0
Dataset results
873 results for “ligands”
Ligand diversity guarantees full activation of the jasmonate pathway in Marchantia polymorpha (RNA-Seq)
GEO Series GSE195837. Marchantia polymorpha. 18 samples. Type: Expression profiling by high throughput sequencing.
Dual Ligand Effects
GEO Series GSE1863. Mus musculus. 96 samples. Type: Expression profiling by array.
Wnt ligands 3a and 5a regulate proliferation and migration in human fetal liver progenitor cells
GEO Series GSE106755. Homo sapiens. 18 samples. Type: Expression profiling by array.
Differential expression in LNCaP cells expressing the wild-type androgen receptor (AR-WT) or the ligand-independent AR-V7 splice variant
GEO Series GSE71336. Homo sapiens. 12 samples. Type: Expression profiling by high throughput sequencing; Non-coding RNA profiling by high throughput sequencing.
Genes regulated in EML1 cells expressing the TEL-AML1 oncogene after 5 and 7 days of treatment with IL7 and FLT3 ligand
The t(12;21) translocation is the most common genetic rearrangement in childhood acute lymphoblastic leukemia (ALL) and gives rise to the TEL-AML1 fusion gene, which functions as a transcription factor. TEL-AML1 expression in EML1 cells results in an impairment of differentiation along the B-lymphoid lineage.
Dataset related to the article "Modulation of soluble receptor for advanced glycation end-products (RAGE) isoforms and their ligands in healthy aging"
<p>This record contains raw data related to the article "Modulation of soluble receptor for advanced glycation end-products (RAGE) isoforms and their ligands in healthy aging" </p> <p> The receptor for advanced glycation end-products (RAGE) recognizes several ligands involved in inflammatory diseases. Two circulating soluble isoforms exist: esRAGE derived from alternative splicing and cRAGE generated by the membrane-bound RAGE (FL-RAGE) proteolysis. Together, esRAGE and cRAGE constitute sRAGE and function as decoy receptors preventing FL-RAGE/ligands binding.</p> <p>We determined serum concentration of both, esRAGE and cRAGE, and their ligands AGEs, HMGB1 and S100A8/A9 in a healthy population of 169 subjects aged 20-90 years. cRAGE showed a negative (r=-0.375, P<0.0001) while AGEs (r=0.160, P=0.0384) and S100A8/A9 (r=0.207, P=0.0091) a positive correlation with age. esRAGE did not change during aging and inversely correlated with Hemoglobin, ALT, insulin, HOMA index, Waist-Hip ratio (W/H), Waist Circumference (WC) and positively with AGEs. cRAGE exhibited also an inverse correlation with WC, W/H, PAI-1, HMGB1, AGEs and S100A8/A9. Age, W/H, HMGB1, S100A8/A9 and AGEs are independent predictors of cRAGE, whereas W/H and AGEs associate with esRAGE. Treatment of cells with glycated albumin reduced cRAGE production and upregulated FL-RAGE<em>. </em></p> <p>These results indicate that in a healthy population cRAGE is a biomarker of aging while esRAGE represents a more reliable marker of obesity and insulin resistance. Hence, sRAGE isoforms levels could be differentially associated with age-related diseases risk factors.</p>
Identification of Potential Multi-Target Directed Ligands Through Virtual Screening and Molecular Dynamics Simulation Approach for the Treatment of Alzheimer's Disease
<p>Alzheimer’s disease (AD) is a multifactorial neurological disorder characterized by memory loss and cognitive impairment. The currently available single-targeting drugs have miserably failed in the treatment of AD and multi-target directed ligands (MTDLs) are being explored as an alternative strategy. Cholinesterase and monoamine oxidase enzymes are reported to play crucial role in the pathology of AD and multipotent ligands targeting these two enzymes simultaneously, are under various phases of design and development. Recent studies have revealed that computational approaches are robust and trusted tools for the identification of novel therapeutics. The current research work is focused on the development of potential multitarget directed ligands that simultaneously inhibit acetylcholinesterase (AChE) and monoamine oxidase B (MAO-B) enzymes employing structure-based virtual screening (SBDD) approach. The ASINEX database was screened after applying pan assay interference and drug likeness filter to identify novel molecules using three docking precision criteria Highthroughput virtual screening (HTVS), Standard Precision (SP), and extra precision (XP). Additionally, binding free energy calculations, ADME and molecular dynamic simulations were also employed to get structural insights into mechanism of protein-ligand binding and pharmacokinetic properties. Three lead molecules viz. AOP19078710, BAS00314308 and BDD26909696 were successfully identified which displayed binding score of -10.565, -10.543 & -8.066 kcal/mol against AChE and -11.019, -12.357 & -10.068 kcal/mol against MAO-B, better score as compared to the standard inhibitors. In near future, these molecules will be synthesized and evaluated through in vitro and in vivo assays for their inhibition potential against AChE and MAO-B enzymes.</p>
Datasets for training and for testing ligand-based reverse screening to predict drug targets.
<p>Bioactivity data were obtained from the ChEMBL (version 25) and the Reaxys<sup>®</sup> (version 03.2019) databases for training/screening and testing target prediction of small molecule drug by reverse screening. A short extract of the raw ChEMBL data for training is given in <strong>Supplementary Table 1 </strong>(Supp_Table_1.xlsx) to show three lines corresponding to an active, an inactive and an ‘gray area’ datapoints, respectively. Processed data are deposited here. The screening set file contains (CHEMBL-screeningset.csv), for each active compound, the standardized SMILES, the ChEMBLID, the number of experimental target(s) and their UniProt identifier(s). The test set file (Reaxys-testset-with300-SMILES.csv) contains, for each 364201 active compound, the ReaxysID, the number of experimental target(s) and the UniProt identifier(s). For Reaxys users, the chemical structure can be obtained through bulk request on the website. Access to www.reaxys.com and to Reaxys data can be obtained by contacting Elsevier directly. The first 300 entries display the standardized SMILES so that every reader can reproduce the results obtained by the reverse screening exercise.</p> <p>Further datasets can be obtained at www.swisstargetprediction.ch/download.php</p>
Dectin-1 intracellular domain determines species-specific ligand spectrum by modulating receptor sensitivity [human]
GEO Series GSE98814. Homo sapiens. 2 samples. Type: Expression profiling by array.
Profiling uterine fibroid specimens with an in-house array representing all 90 human tyrosine kinases and their ligands
GEO Series GSE19127. Homo sapiens. 42 samples. Type: Expression profiling by array.
Coagulation Factor XIII-Binding Aptamers as Bivalent Ligands Targeting Fibrin and Activated Platelets in the Thrombus
GEO Series GSE163934. synthetic construct. 1 samples. Type: Other.
Diffraction images for crystals in complex with various ligands
<p>Macromolecular crystallography datasets (images in cbf format), which were used for building protein models.</p> <p>CYP124_Cholestenone.tar.bz2</p> <ol> <li>PDB ID: 6T0F</li> <li>Beamline: ESRF id23eh1</li> <li>Detector: PILATUS 6M F</li> <li>Flux: 5.4e+10 ph/sec</li> <li>Energy (Wavelength): 12.000 keV (1.0332 Å)</li> <li>Oscillation: 0.15<sup>o</sup></li> <li>Total range: 540<sup>o</sup></li> <li>Transmition: 5%</li> <li>Exposure time: 0.039 s</li> <li>Detector Distance: 246.87 mm</li> <li>Resolution (corner): 1.50 Å (1.20 Å)</li> </ol> <p>CYP124_VD3.tar.bz2</p> <ol> <li>PDB ID: 6T0G</li> <li>Beamline: ESRF id30b</li> <li>Detector: PILATUS3 6M</li> <li>Flux: 9.8e+10 ph/sec</li> <li>Energy (Wavelength): 12.600 keV (0.9840 Å)</li> <li>Oscillation: 0.10<sup>o</sup></li> <li>Total range: 180<sup>o</sup></li> <li>Transmition: 19.2%</li> <li>Exposure time: 0.02 s</li> <li>Detector Distance: 158.82 mm</li> <li>Resolution (corner): 1.10 Å (0.95 Å)</li> </ol> <p>CYP124_1alphaOHVD3.tar.bz2</p> <ol> <li>PDB ID: 6T0H</li> <li>Beamline: ESRF id30b</li> <li>Detector: PILATUS3 6M</li> <li>Flux: 6.9e+10 ph/sec</li> <li>Energy (Wavelength): 12.700 keV (0.9763 Å)</li> <li>Oscillation: 0.05<sup>o</sup></li> <li>Total range: 180<sup>o</sup></li> <li>Transmition: 1.0%</li> <li>Exposure time: 0.015 s</li> <li>Detector Distance: 152.31 mm</li> <li>Resolution (corner): 1.07 Å (0.93 Å)</li> </ol> <p>CYP124_SQ109.tar.bz2</p> <ol> <li>PDB ID: 6T0J</li> <li>Beamline: ESRF id23eh1</li> <li>Detector: PILATUS 6M F</li> <li>Flux: 3.2e+10 ph/sec</li> <li>Energy (Wavelength): 12.755 keV (0.9720 Å)</li> <li>Oscillation: 0.15<sup>o</sup></li> <li>Total range: 360<sup>o</sup></li> <li>Transmition: 8.0%</li> <li>Exposure time: 0.1 s</li> <li>Detector Distance: 155.00 mm</li> <li>Resolution (corner): 1.08 Å (0.93 Å)</li> </ol> <p>CYP124_CHImi.tar.bz2</p> <ol> <li>PDB ID: 6T0K</li> <li>Beamline: ESRF id30b</li> <li>Detector: PILATUS3 6M</li> <li>Flux: 1.0e+11 ph/sec</li> <li>Energy (Wavelength): 12.677 keV (0.9780 Å)</li> <li>Oscillation: 0.05<sup>o</sup></li> <li>Total range: 180<sup>o</sup></li> <li>Transmition: 15.3%</li> <li>Exposure time: 0.02 s</li> <li>Detector Distance: 160.85 mm</li> <li>Resolution (corner): 1.10 Å (0.94 Å)</li> </ol> <p>CYP124_Cpd5'.tar.bz2 - PDB ID: 6T0L</p> <ol> <li>PDB ID: 6T0L</li> <li>Beamline: ESRF id30a1</li> <li>Detector: PILATUS3 2M</li> <li>Flux: 1.3e+12 ph/sec</li> <li>Energy (Wavelength): 12.834 keV (0.9660 Å)</li> <li>Oscillation: 0.20<sup>o</sup></li> <li>Total range: 180<sup>o</sup></li> <li>Transmition: 100%</li> <li>Exposure time: 0.1 s</li> <li>Detector Distance: 237.74 mm</li> <li>Resolution (corner): 2.02 Å (1.43 Å)</li> </ol> <ol> </ol> <p>In addition, processing files (XDS/XSCALE file format) are also included.</p> <p> </p>
JF ligand file test upload
<p>JF ligand inventory test upload</p>
ScienceDex guides
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These curated guides explain access requirements, typical timelines, costs, and reuse considerations for widely used research datasets.
Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.