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Showing 1–4 of 4 results
Advanced filters: Author: Leo Gendelev Clear advanced filters

  • Some anesthetics despite being generally associated with sedation, can also increase brain activity—a phenomenon called paradoxical excitation. The authors identified dozens of compounds that generally decrease neuronal activity, but increase activity in the caudal hindbrain of zebrafish.

    • Matthew N. McCarroll
    • Leo Gendelev
    • David Kokel
    ResearchOpen Access
    Nature Communications
    Volume: 10, P: 1-14

  • The authors used deep metric learning to characterize 650 neuroactive compounds by zebrafish behavioral profiles. After redesigning a large screen to overcome AI/ML shortcut learning, zebrafish behavioral similarity found compounds acting on the same human receptors as structurally dissimilar drugs.

    • Leo Gendelev
    • Jack Taylor
    • Michael J. Keiser
    ResearchOpen Access
    Nature Communications
    Volume: 15, P: 1-16

  • Virtual screening of huge libraries is successful in identifying drug leads. Here, the authors describe a computational strategy, Chemical Space Docking, which combines docking with a reaction-based search of compounds, thereby enabling the exploration of billions of compounds and beyond.

    • Paul Beroza
    • James J. Crawford
    • Christian Lemmen
    ResearchOpen Access
    Nature Communications
    Volume: 13, P: 1-10

  • A screening approach involving ten larval zebrafish behavior assays and the similarity search tool, phenoBlast, for compounds that phenocopy the antipsychotic haloperidol identifies finazines that may work partially through the sigma-1 (σ1) receptor.

    • Giancarlo Bruni
    • Andrew J Rennekamp
    • David Kokel
    Research
    Nature Chemical Biology
    Volume: 12, P: 559-566