Find research datasets worth reusing
Search datasets from major research repositories and use ShareScore to quickly assess how well each record supports discovery, access, and reuse.
77
datasets available to search
ShareScore release 0.9.0
Dataset results
77 results for “coumarin”
Data from: Conformational dynamics in TRPV1 channels reported by an encoded coumarin amino acid
TRPV1 channels support the detection of noxious and nociceptive input. Currently available functional and structural data suggest that TRPV1 channels have two gates within their permeation pathway: one formed by a ′bundle-crossing′ at the intracellular entrance and a second constriction at the selectivity filter. To describe conformational changes associated with channel gating, the fluorescent non-canonical amino acid coumarin-tyrosine was genetically encoded at Y671, a residue proximal to the selectivity filter. Total internal reflection fluorescence microscopy was performed to image the conformational dynamics of the channels in live cells. Photon counts and optical fluctuations from coumarin encoded within TRPV1 tetramers correlates with channel activation by capsaicin, providing an optical marker of conformational dynamics at the selectivity filter. In agreement with the fluorescence data, molecular dynamics simulations display alternating solvent exposure of Y671 in the closed and open states. Overall, the data point to a dynamic selectivity filter that may serve as a gate for permeation.
Characterization of a Clematis terniflora DC. coumarin synthase involved in coumarin biosynthesis
<p><em>Clematis terniflora</em> DC. has been used for anti-inflammatory, antihypertensive and other diseases in some Asian countries, and has high medicinal value. Coumarins are the major secondary metabolites produced by<em> C. terniflora</em> leaves under ultraviolet B (UV-B) radiation followed by dark treatment, but the synthesis of coumarin in <em>C. terniflora</em> has not been fully elucidated. Coumarin synthase is a key enzyme to produce coumarin core structure, which is the first step to form coumarins. Based on previous transcriptome data, we identified a BADH acyltransferase CtCOSY highly expressed in leaves after stresses and characterized it functionally. Experiments have proved that CtCOSY could couple with 4-coumarinyl CoA-ligase in vitro to produce umbelliferone. By analyzing the proteomics and metabolomics of control plants and CtCOSY-silenced plants before and after UV-B followed by dark treatment, we found that double stresses disturbed the energy metabolism pathway and phenylpropanoids synthesis pathway. CtCOSY silencing affected plant’s regulation of primary metabolism to a certain extent, and it also affected the accumulation of compounds in shikimic acid pathway and coumarin synthesis. This study provides evidence that CtCOSY is involved in the synthesis of coumarin in <em>C. terniflora.</em></p>
Data from: Conformational dynamics in TRPV1 channels reported by an encoded coumarin amino acid
Open the record for dataset details and reuse information.
Figures S1–S10 from: Shoman ME, Abd El-Hafeez AA, Khobrani M, Assiri AA, Al Thagfan SS, Othman EM, Ibrahim ARN (2022) Molecular docking and dynamic simulations study for repurposing of multitarget coumarins against SARS-CoV-2 main protease, papain-like protease and RNA-dependent RNA polymerase. Pharmacia 69(1): 211-226. https://doi.org/10.3897/pharmacia.69.e77021
Molecular docking and Dynamic simulations study for repurposing of multitarget Coumarins against SARS-CoV-2 main protease, papain like protease and RNA-Dependent RNA polymerase.
Dataset for In silico study of tricyclic coumarin-derived MTHFD2 inhibitors
<p>Docked structures and MD simulation trajectories of tricyclic coumarin-derived MTHFD2 inhibitors. </p> <p>All docking performed using Glide (Schrödinger) and MD simulations using Desmond (Schrödinger). </p>
LC-HRAM-MS data for "Emergence of a proton exchange-based isomerization and lactonization mechanism in the plant coumarin synthase COSY"
<p>LC-HRAM-MS data underlying Figures 2b and 3b for "Emergence of a proton exchange-based isomerization and lactonization mechanism in the plant coumarin synthase COSY"</p>
Fig. 4 in Sesquiterpene coumarins from Ferula sinkiangensis K.M.Shen and their cytotoxic activities
Fig. 4. Comparisons of calculated ECD spectra and experimental ECD spectra of compounds 3–5. (A) The Cal. ECD of stereoisomer (3′R, 4′R, 5′S, 10′S) of 3 were more matched with the Exp. ECD of 3. (B) The Cal. ECD of stereoisomer (3′S, 5′R, 8′R, 9′S, 10′S) of 4 were more matched with the Exp. ECD of 4. (C) The Cal. ECD of stereoisomer (3′R, 5′R, 6′S, 9′R, 10′R) of 5 were more matched with the Exp. ECD of 5.
Fig. 6 in Sesquiterpene coumarins from Ferula sinkiangensis K.M.Shen and their cytotoxic activities
Fig. 6. Effects of Sinkiangenol E on cell cycle distribution in HeLa cells. (A) HeLa cells were treated by Sinkiangenol E (0, 5, 10, 20 μM) for 24 h, then analyzed by flow cytometry for cell cycle distribution. (B) The data were presented as the mean ± SD of three independent experiments. *p <0.05 and **p <0.01 versus control were considered statistically significance.
Fig. 5 in Sesquiterpene coumarins from Ferula sinkiangensis K.M.Shen and their cytotoxic activities
Fig. 5. Apoptosis induced by Sinkiangenol E in HeLa cells detected by the Annexin V-FITC/PI staining test. HeLa cells were treated with Sinkiangenol E (0, 5, 10, 20 μM) for 24 h. DMSO treatment was used as a solvent control. (A) The apoptotic rates were determined by Annexin V-FITC/PI staining. Dot-plot graphs showed viable cells (AV-/PI-), necrotic cells (AV-/PI+), early phase apoptotic cells (AV+/PI-), and late phase apoptotic cells (AV+/PI+). Apoptosis rate was reported as the percentage of apoptotic cells (AV+/PI- and AV+/PI+) among total cells. (B) The data were presented as the mean ± SD of three independent experiments. *p <0.05 and **p <0.01 versus control were considered statistically significance.
Fig. 7 in Sesquiterpene coumarins from Ferula sinkiangensis K.M.Shen and their cytotoxic activities
Fig. 7. Effects of Sinkiangenol E on the MAPK signaling pathway. ERK-specific inhibitor PD98059, JNK-specific inhibitor SP600125, and p38-specific inhibitor SB203580 were used to confirm the effects of Sinkiangenol E on MAPK signaling transduction pathway. (A) The expression levels of phosphorylated and total ERK1/ 2, JNK, and p38 were detected by Western blot analysis. (B) The effects of PD98059, SP600125, and SB203580 on the expression of apoptosis-related protein (Bax, Bcl-2, and Caspase3). (C) The effects of PD98059, SP600125, and SB203580 on the expression of cell cycle regulation-related protein (CDK2, CDK4, and Cyclin D1). The data were presented as the mean ± SD of three independent experiments. *p <0.05 and **p <0.01 versus control, #p <0.05 and ##p <0.01 versus 20 μM of Sinkiangenol E-treated cells were considered statistically significance.
Fig. 2 in (þ/¡)-Dievodialetins A¡G: Seven pairs of enantiomeric coumarin dimers with anti-acetylcholinesterase activity from the roots of Evodia lepta Merr.
Fig. 2. (A) Key 1H–1H COSY (red bold lines) and HMBC (blue arrows) correlations of 1. (B) X-ray ORTEP schematic of 1. (For interpretation of the references to colour in this figure legend, the reader is referred to the Web version of this article.)
Fig. 5. Compounds 1–9 in (þ/¡)-Dievodialetins A¡G: Seven pairs of enantiomeric coumarin dimers with anti-acetylcholinesterase activity from the roots of Evodia lepta Merr.
Fig. 5. Compounds 1–9 ameliorate oxidative stress and neuroinflammation in scopolamine-treated SH-SY5Y cells.
Fig. 5 in Coumarin derivatives from the leaves and twigs of Murraya exotica L. and their anti-inflammatory activities
Fig. 5. Mo2(OAc)4-induced ECD spectrum of 7 and Newman projection of the diol moiety of 7, with the helicity rule applied.
Fig. 3 in Terpenylated coumarins from the root bark of Ailanthus altissima (Mill.) Swingle
Fig. 3. Key NOESY correlations of compounds 1–4, 5 and 6 (1D NOESY correlations were marked in red and 2D NOESY correlations were marked in blue).
Fig. 2 in Terpenylated coumarins from the root bark of Ailanthus altissima (Mill.) Swingle
Fig. 2. Key HMBC correlations (arrows in blue) and H1–H1 COSY (bold bond in black) of the undescribed compounds.
Fig. 4 in Terpenylated coumarins from the root bark of Ailanthus altissima (Mill.) Swingle
Fig. 4. (A) Possible gross structures of compounds 3, 4 and 11; (B) Possible relative configurations of compound 3 (3b1/3b2) and 4 (4b1/4b2).
Fig. 4 in Benzofuran and coumarin derivatives from the root of Angelica dahurica and their PPAR-γ ligand-binding activity
Fig. 4. PPAR-γ ligand binding activity of 1–21. Pioglitazone (PG): 50 (■) and 5.0 (□) μM, 1–21: 500 and 50 μM. Data are represented as the mean ± S.E.M. (n = 3). Dunnett's test was used for statistical analysis. ***p <0.001, **p <0.01, *p <0.05.
Effectiveness of a Multidisciplinary Medication Review With Follow-up for Patients Treated With Coumarin Anticoagulants in Primary Care
ClinicalTrials.gov study NCT03154489. IPD Sharing: NO. Countries: 1. Publications: 1.
Efficacy and Safety of Coumarin and Troxerutin in the Symptomatic Treatment of Chronic Venous Insufficiency
ClinicalTrials.gov study NCT01848210. IPD Sharing: Not stated. Countries: 0. Publications: 1.
Supplementary material 3 from: Khalaf WY, Elias RS, Raheem LA (2023) Design, synthesis and molecular docking study of coumarin pyrazoline derivatives against MCF-7 breast cancer cell line. Pharmacia 70(4): 1497-1492. https://doi.org/10.3897/pharmacia.70.e108670
Data synthesis compounds, physicochemical properties and identification of synthesis compound
ScienceDex guides
Understand access before you commit
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.