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AddictedChem: A comprehensive addictive compound knowledge base and integrated analysis platform
<p>Please refer to http://design.rxnfinder.org/addictedchem/prediction.</p>
Fig. 7. A proposed pathway for compound 3 in Cytotoxic sesquiterpene lactones from Campuloclinium macrocephalum (=Eupatorium macrocephalum)
Fig. 7. A proposed pathway for compound 3.
Bacterial genera producing compounds related to marine invertebrate-derived compounds.
<p>Data table.</p>
WAYS OF FORMING OF COMPOUND WORDS IN RUSSIAN AND ENGLISH LANGUAGES.
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Figure 6 from: Albratty M, Thangavel N, Chandrasekaran B, Meraya AM, Alhazmi HA, Muthumanickam S, Boomi P, Bhagavan NB, Saleh SF (2024) Benchmarking docking, density functional theory and molecular dynamics studies to assess the aldose reductase inhibitory potential of Trigonella foenum-graecum compounds for managing diabetes-associated complications. Pharmacia 71: 1-10. https://doi.org/10.3897/pharmacia.71.e118949
Figure 6 Molecular dynamics of Tigogenin and Gitogenin bound to aldose reductase: (a) RMSD, (b) RMSF, (c) Hydrogen bond profile; green-Tigogenin, red-Gitogenin, black-apoprotein.
Supplementary material 1 from: Albratty M, Thangavel N, Chandrasekaran B, Meraya AM, Alhazmi HA, Muthumanickam S, Boomi P, Bhagavan NB, Saleh SF (2024) Benchmarking docking, density functional theory and molecular dynamics studies to assess the aldose reductase inhibitory potential of Trigonella foenum-graecum compounds for managing diabetes-associated complications. Pharmacia 71: 1-10. https://doi.org/10.3897/pharmacia.71.e118949
List of molecular weight matched decoys retrieved from DEKOIS 2.0
Figure 5 from: Albratty M, Thangavel N, Chandrasekaran B, Meraya AM, Alhazmi HA, Muthumanickam S, Boomi P, Bhagavan NB, Saleh SF (2024) Benchmarking docking, density functional theory and molecular dynamics studies to assess the aldose reductase inhibitory potential of Trigonella foenum-graecum compounds for managing diabetes-associated complications. Pharmacia 71: 1-10. https://doi.org/10.3897/pharmacia.71.e118949
Figure 5 HOMO and LUMO distribution plots: (a) HOMO (b) LUMO of Tigogenin (c) HOMO (d) LUMO of Gitogenin.
Figure 4 from: Albratty M, Thangavel N, Chandrasekaran B, Meraya AM, Alhazmi HA, Muthumanickam S, Boomi P, Bhagavan NB, Saleh SF (2024) Benchmarking docking, density functional theory and molecular dynamics studies to assess the aldose reductase inhibitory potential of Trigonella foenum-graecum compounds for managing diabetes-associated complications. Pharmacia 71: 1-10. https://doi.org/10.3897/pharmacia.71.e118949
Figure 4 Intermolecular interactions of (a) Tigogenin, (b) Gitogenin, (c) Epalrestat with active-site amino acids of the enzyme aldose reductase. All the ligands are shown in all atoms' green-coloured ball and stick-type representations. The names of amino acids with ID numbers are mentioned under each circle around each ligand. On the 2D figures analysis, green-coloured dotted lines indicate hydrogen bonding interactions involving electronegative elements like nitrogen and oxygen atoms; light purple-coloured dotted lines indicate π-alkyl interactions; violet-coloured dotted lines indicate π-sigma interactions. Light green colour amino acids without bonding represent van der Waals interactions, whereas, orange-red colour amino acids indicate unfavourable interactions. The light-blue halo surrounding the interacting residues represents the solvent-accessible surface that is proportional to its diameter.
Figure 1 from: Albratty M, Thangavel N, Chandrasekaran B, Meraya AM, Alhazmi HA, Muthumanickam S, Boomi P, Bhagavan NB, Saleh SF (2024) Benchmarking docking, density functional theory and molecular dynamics studies to assess the aldose reductase inhibitory potential of Trigonella foenum-graecum compounds for managing diabetes-associated complications. Pharmacia 71: 1-10. https://doi.org/10.3897/pharmacia.71.e118949
Figure 1 The binding site of aldose reductase was predicted using CASTp. The residues highlighted in blue boxes constitute the binding site.
Figure 3 from: Albratty M, Thangavel N, Chandrasekaran B, Meraya AM, Alhazmi HA, Muthumanickam S, Boomi P, Bhagavan NB, Saleh SF (2024) Benchmarking docking, density functional theory and molecular dynamics studies to assess the aldose reductase inhibitory potential of Trigonella foenum-graecum compounds for managing diabetes-associated complications. Pharmacia 71: 1-10. https://doi.org/10.3897/pharmacia.71.e118949
Figure 3 Analysis and comparison of the predictive power of AutoDock and AutoDock Vina: (a) Receiver operating characteristic curves, (b) Predictiveness curves, (c) Enrichment curves, red is ADock and green is Avina.
Climatic drivers of the global biogeography of simple- and compound-leaved woody species
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Figure 4 in Quality of cosmetics with active caffeine in cream and gel galenic bases prepared by compounding pharmacies
Figure 4. Viscosity curve for cream-based cosmetics, at time 0 and stored for 30, 60 and 90 days. Of which: C1 (cream-based cosmetic at Pharmacy 1), C2 (cream-based cosmetic at Pharmacy 2), C3 (cream-based cosmetic at Pharmacy 3) and C4 (cream-based cosmetic at Pharmacy 4).
Figure 3 in Quality of cosmetics with active caffeine in cream and gel galenic bases prepared by compounding pharmacies
Figure 3. Flow curve for cream-based cosmetics at time 0 and stored for 30, 60 and 90 days.Of which:C1 (cream-based cosmetic at Pharmacy 1), C2 cream-based cosmetic at Pharmacy 2), C3 (cream-based cosmetic at Pharmacy 3) and C4 cream-based cosmetic at Pharmacy 4).
Figure 1 in Cytotoxicity of extracts and compounds isolated from Croton echioides in animal tumor cell (HTC)
Figure 1. Mean absorbance and standard deviation of tumor cells from rat liver (HTC) treated for 24, 48 and 72 hours with the concentrations (µg/mL) of the semi-purified fraction with ethyl acetate (A) and hexane (B), of Croton echioides. CO-: Negative Control; CO +: Positive Control; CS: DMSO Solvent Control; 2.0x104 cells per well. * Result statistically different from the negative control (Dunnet test, p <0.05).
Figure 2 in Cytotoxicity of extracts and compounds isolated from Croton echioides in animal tumor cell (HTC)
Figure 2. Mean absorbance and standard deviation of tumor cells from rat liver (HTC) treated for 24, 48 and 72 hours with the concentrations (µg/mL) of the compounds extracted and isolated from Croton echioides: Lupeol (A), CEH -1 (B), CEH-2 (C), CEH-3 (D) and CEH-4 (E). CO-: Negative Control; CO +: Positive Control; CS: DMSO Solvent Control; 2.0x104 cells per well. * Result statistically different from the negative control (Dunnet test, p <0.05).
Fig. 2. Dienerella costulata. A. head, dorsal aspect. B. compound eye, dorsal aspect. C in New Korean record and redescription of Dienerella (Dienerella) costulata (Reitter) (Coleoptera: Latridiidae: Latridiinae)
Fig. 2. Dienerella costulata. A. head, dorsal aspect. B. compound eye, dorsal aspect. C. frons and clypeus, dorsal aspect. D. antenna, dorsal aspect. E. apical end of antennomere 11. F. apical end of antennomere 9.
Fig. 3 in Variation of cuticular chemical compounds in three species of Mischocyttarus (Hymenoptera: Vespidae) eusocial wasps
Fig. 3. Scatter diagram of the discriminant analysis results, showing the two canonical roots for differentiation of the three social wasp species of the genus Michocyttarus, based on the relative areas (percentages) of the cuticular compounds of females, obtained by GC–MS.
Figure 4 in Earthworm, a novel in vivo system to validate antimitotic compounds
Figure 4. Immunohistochemistry study with mitosis-specific antibodies: Panels A, B, and C show the analysis of worms treated with water, colchicine, or aqueous extract of rhizomes, respectively, and tested with PCNA antibody. A) High number of PCNA positive cells is shown with 40× lens. Lower number of PCNA-positive cells is shown in panels B and C. Panels D, E, and F show the analysis of worms treated with water, colchicine, or aqueous extract of rhizomes respectively, treated with phospho serine 10 histone H3 antibody. D) A low number of histone H3-positive cells is shown with 40× magnification. A high number of H3-positive cells is shown in panels E and F. Quantitative analysis of positive cells with PCNA (G) and histone H3 (H) cells are shown with mean ± SEM bar and P value (**:P <0.05). Scale bar equals 50 µm.
Raw and processed single-crystal diffraction data of the compound [(Ph3PO)2H][AuI4]
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Raw and processed single-crystal diffraction data of the compound DPPM(AuBr)2
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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.