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.
27
datasets available to search
ShareScore release 0.9.0
Dataset results
27 results for “flavonols”
Molecular docking and quantum-chemical characterization of inhibitory activity of procyanidins and flavonol glucosides from Graptopetalum paraguayense E. Walther against nonstructural proteins of SARS-Cov-2
<p>The dataset includes:</p> <ol> <li><span>Optimized geometries of all ligands, NSPs and their complexes in gas phase</span></li> <li><span>Total energies (a.u.) and interaction energies (a.u. and kcal mol-1) of the complexes, ligands and NSPs in gas phase and in argon</span></li> <li><span>Mass spectra (full ms) and product ion spectra (ms2) of standards and identified components from GP. </span></li> <li><span>Output files from quantum-chemical calculations.</span></li> <li><span>pdb files of NSPs</span></li> <li><span>mol files of all complexes</span></li> </ol>
Fig. 6 in Undescribed glucosylceramide, flavonol triglycoside, and oleanane saponin from the halophyte Agathophora alopecuroides: Promising candidates for stimulating ceramide synthesis
Fig. 6. Effect of isolated compounds (1–11) and methanol extract of A. alopecuroides (12) on mRNA expression levels of CerS3 involved in ceramide synthesis in HaCaT cells. HaCaT cells were cultured in the presence or absence of tested samples at 10–400 μg/mL for 24 h. RT-PCR analysis was performed as described in Material and methods part. Data are expressed as means ± SD of at least three independent experiments; *p <0.05, **p <0.01.
Fig. 5 in Undescribed glucosylceramide, flavonol triglycoside, and oleanane saponin from the halophyte Agathophora alopecuroides: Promising candidates for stimulating ceramide synthesis
Fig. 5. Effect of extract and isolated compounds on viability of HaCaT cells. A: Compounds 1–3; B: Compounds 4–6; C: Compounds 7–9; D: Compounds 10–11 and methanol extract (12). Cell viability was measured by MTT assay. HaCaT cells (1 105 cells/well) were seeded to a 96-well plate and incubated overnight. The cell × viability was performed after treatment with extract and isolated compounds (1–400 μg/mL) for 24 h. Values are expressed as the mean ± SD of three wells; *p <0.05, **p <0.01.
Leveraging genetic resources and genomic prediction to enhance flavonol content in cranberry fruit
Open the record for dataset details and reuse information.
Figure 4 from: Ha T-K-Q, Pham-Khanh N-H, Nguyen T-K (2024) Molecular docking screening, dynamics simulations, ADMET, and semi-synthesis prediction of flavones and flavonols from the COCONUT database as potent bifunctional neuraminidase inhibitors. Pharmacia 71: 1-10. https://doi.org/10.3897/pharmacia.71.e114967
Figure 4 Number of HBs and RMSD between N1-H274Y-oseltamivir protein (PDB ID: 3CL0) with three flavones 428, 581, and 864 (Fig. A–C, respectively) during dynamic simulation time 500 ns.
Figure 5 from: Ha T-K-Q, Pham-Khanh N-H, Nguyen T-K (2024) Molecular docking screening, dynamics simulations, ADMET, and semi-synthesis prediction of flavones and flavonols from the COCONUT database as potent bifunctional neuraminidase inhibitors. Pharmacia 71: 1-10. https://doi.org/10.3897/pharmacia.71.e114967
Figure 5 The proposed semi-synthesis of compound 864. (i) Column chromatography (70% EtOH: 18.64 mg.g−1) (ii) ClCH2COCl, K2CO3, DCM, rt, 8–24h; (iii) K2CO3/KI, acetone, reflux, 25–30 h.
Figure 2 from: Ha T-K-Q, Pham-Khanh N-H, Nguyen T-K (2024) Molecular docking screening, dynamics simulations, ADMET, and semi-synthesis prediction of flavones and flavonols from the COCONUT database as potent bifunctional neuraminidase inhibitors. Pharmacia 71: 1-10. https://doi.org/10.3897/pharmacia.71.e114967
Figure 2 2D interaction diagrams and 3D molecular docking of N1-H274Y-oseltamivir protein (PDB ID: 3CL0) with four flavones 428, 581, 864, and 948 (A–D, respectively) and two flavonols 162 and 218, (E, F, respectively).
Figure 3 from: Ha T-K-Q, Pham-Khanh N-H, Nguyen T-K (2024) Molecular docking screening, dynamics simulations, ADMET, and semi-synthesis prediction of flavones and flavonols from the COCONUT database as potent bifunctional neuraminidase inhibitors. Pharmacia 71: 1-10. https://doi.org/10.3897/pharmacia.71.e114967
Figure 3 3D molecular docking of bifunctional N inhibitor (compound 864) binding into the sialic acid binding cavity and the 430-cavity through the unique arginine triad Arg118-Arg292-Arg371 of N1-H274Y-oseltamivir protein (PDB ID: 3CL0).
Figure 1 from: Ha T-K-Q, Pham-Khanh N-H, Nguyen T-K (2024) Molecular docking screening, dynamics simulations, ADMET, and semi-synthesis prediction of flavones and flavonols from the COCONUT database as potent bifunctional neuraminidase inhibitors. Pharmacia 71: 1-10. https://doi.org/10.3897/pharmacia.71.e114967
Figure 1 Procedure of molecular docking screening and molecular dynamics of flavones and flavonols from COCONUT database.
Supplementary material 1 from: Ha T-K-Q, Pham-Khanh N-H, Nguyen T-K (2024) Molecular docking screening, dynamics simulations, ADMET, and semi-synthesis prediction of flavones and flavonols from the COCONUT database as potent bifunctional neuraminidase inhibitors. Pharmacia 71: 1-10. https://doi.org/10.3897/pharmacia.71.e114967
Supporting data
Figure 3 from: Demkovych A, Shcherba V, Yaremchuk O, Stoikevych H, Machogan V, Luchynskyi V (2021) Effects of flavonol quercetin on syndrome of endogenous intoxication in experimental periodontitis. Pharmacia 68(3): 627-632. https://doi.org/10.3897/pharmacia.68.e67341
Figure 3 Dynamics of erythrocyte intoxication index in the blood serum of white rats with experimental periodontitis with quercetin correction (in % of control). Notes: * – significant of differences in relation to the intact animals (p < 0.01); # – # – significant of differences in relation to the animals with periodontitis on the 7th day of experiment without correction (p < 0.05).
Figure 2 from: Demkovych A, Shcherba V, Yaremchuk O, Stoikevych H, Machogan V, Luchynskyi V (2021) Effects of flavonol quercetin on syndrome of endogenous intoxication in experimental periodontitis. Pharmacia 68(3): 627-632. https://doi.org/10.3897/pharmacia.68.e67341
Figure 2 Dynamics of content middle molecular weight molecules (280 nm) in the blood serum of white rats with experimental periodontitis with quercetin correction (in % of control). Notes: * – significant of differences in relation to the intact animals (p < 0.01); # – significant of differences in relation to the animals with periodontitis on the 7th day of experiment without correction (p < 0.05).
Figure 1 from: Demkovych A, Shcherba V, Yaremchuk O, Stoikevych H, Machogan V, Luchynskyi V (2021) Effects of flavonol quercetin on syndrome of endogenous intoxication in experimental periodontitis. Pharmacia 68(3): 627-632. https://doi.org/10.3897/pharmacia.68.e67341
Figure 1 Dynamics of content middle molecular weight molecules (254 nm) in the blood serum of white rats with experimental periodontitis with quercetin correction (in % of control). Notes: * – significant of differences in relation to the intact animals (p < 0.01); # – # – significant of differences in relation to the animals with periodontitis on the 7th day of experiment without correction (p < 0.05).
Fig. 2. Key 1H–1H in Fatty acid acylated flavonol glycosides from the seeds of Nephelium lappaceum and their nitric oxide suppression activity
Fig. 2. Key 1H–1H COSY and HMBC correlations of compounds 1–5.
Fig. 1 in Fatty acid acylated flavonol glycosides from the seeds of Nephelium lappaceum and their nitric oxide suppression activity
Fig. 1. Structures of all isolated compounds from the seeds of N. lappaceum.
Fig. 2. Key 2D in Undescribed glucosylceramide, flavonol triglycoside, and oleanane saponin from the halophyte Agathophora alopecuroides: Promising candidates for stimulating ceramide synthesis
Fig. 2. Key 2D correlations of compound 6.
Fig. 4. Key 2D in Undescribed glucosylceramide, flavonol triglycoside, and oleanane saponin from the halophyte Agathophora alopecuroides: Promising candidates for stimulating ceramide synthesis
Fig. 4. Key 2D correlations of compound 10.
Fig. 3 in Undescribed glucosylceramide, flavonol triglycoside, and oleanane saponin from the halophyte Agathophora alopecuroides: Promising candidates for stimulating ceramide synthesis
Fig. 3. Key HMBC correlations of compound 8.
Fig. 1 in Undescribed glucosylceramide, flavonol triglycoside, and oleanane saponin from the halophyte Agathophora alopecuroides: Promising candidates for stimulating ceramide synthesis
Fig. 1. Structures of isolated compounds 1–11.
Fig. 7 in Undescribed glucosylceramide, flavonol triglycoside, and oleanane saponin from the halophyte Agathophora alopecuroides: Promising candidates for stimulating ceramide synthesis
Fig. 7. The mechanism of stratum corneum ceramide increase effect of A. alopecuroides.
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.