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8 results for “Antiplasmodial activity”
Discovery of a Non-Competitive Open-Flap Selective Inhibitor of Plasmepsin II with Antiplasmodial Activity
<p><span>Here, we predicted that Plasmepsin II (PlmII) can explore open-flap conformations not sampled for the human aspartic proteases: Cathepsin D, Renin, and Pepsin along µs molecular dynamics simulations. We discovered two PlmII non-competitive selective inhibitors: SPB07935 and RH01201, with Ki values in the µM range by targeting the open-flap conformations. Both compounds did not inhibit the human Cathepsin D (hCatD) at high concentrations. We predicted that SPB07935 and RH01201 bind stably to the flap cryptic pocket, keeping this hairpin in an open or semi-open conformation along the MD simulations, respectively. Significantly, SPB07935 inhibited the <em>P. falciparum</em> chloroquine-resistant strain FcB1 growth in vitro, with an IC<sub>50</sub> value of 8 µM while having a lower toxicity for HEK-293 human cells (IC<sub>50</sub> = 189 µM).</span></p>
Fig. 5 in Hygroline derivatives from Schizanthus tricolor and their anti-trypanosomatid and antiplasmodial activities
Fig. 5. Key HMBC (blue arrows), ROESY (green arrows) correlations and selected coupling constants (red dashed arrow) of compound 19. (For interpretation of the references to color in this figure legend, the reader is referred to the Web version of this article.)
Fig. 4 in Hygroline derivatives from Schizanthus tricolor and their anti-trypanosomatid and antiplasmodial activities
Fig. 4. Key HMBC (blue arrows), ROESY (green arrows) correlations and selected coupling constants (red dashed arrow) of compounds 1 and 3. (For interpretation of the references to color in this figure legend, the reader is referred to the Web version of this article.)
Fig. 1 in Hygroline derivatives from Schizanthus tricolor and their anti-trypanosomatid and antiplasmodial activities
Fig. 1. LC-HRMS chromatogram of the alkaloid fraction of S. tricolor (for sake of clarity m/z values are shown without decimal).
Fig. 6 in Hygroline derivatives from Schizanthus tricolor and their anti-trypanosomatid and antiplasmodial activities
Fig. 6. Chemical structures of compounds 21–26.
Fig. 3 in Hygroline derivatives from Schizanthus tricolor and their anti-trypanosomatid and antiplasmodial activities
Fig. 3. Experimental VCD spectra of compounds 1, 16 and 17.
Fig. 2 in Hygroline derivatives from Schizanthus tricolor and their anti-trypanosomatid and antiplasmodial activities
Fig. 2. Chemical structures of compounds 1–20.
In vitro antiplasmodial activity of Dicoma anomala subsp. gerrardii (Asteraceae): identification of its main active constituent and gene expression profiling.
GEO Series GSE29874. Plasmodium falciparum 3D7; Plasmodium falciparum. 19 samples. Type: Expression profiling by array.
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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.