Dokument: Computational design of an improved photoswitchable psychedelic based on light absorption, membrane permeation and protein binding
| Titel: | Computational design of an improved photoswitchable psychedelic based on light absorption, membrane permeation and protein binding | |||||||
| URL für Lesezeichen: | https://docserv.uni-duesseldorf.de/servlets/DocumentServlet?id=72594 | |||||||
| URN (NBN): | urn:nbn:de:hbz:061-20260316-143850-9 | |||||||
| Kollektion: | Publikationen | |||||||
| Sprache: | Englisch | |||||||
| Dokumententyp: | Wissenschaftliche Texte » Artikel, Aufsatz | |||||||
| Medientyp: | Text | |||||||
| Autoren: | Palmisano, Vito F. [Autor] Faraji, Shirin [Autor] Agnorelli, Claudio [Autor] Nogueira, Juan J. [Autor] | |||||||
| Dateien: |
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| Beschreibung: | Psychedelic compounds can induce rapid-acting and long-lasting antidepressant benefits. Understanding the role of their hallucinatory effects is crucial for shaping the future trajectory of antidepressant drug development. Photoswitchable compounds targeting the 5-HT2AR offer precise spatio-temporal control over the activation of different downstream pathways. In this work, we computationally discovered PQ-azo-N,N-DMT (34), a photoswitch with improved features compared to the previously synthesized azo-N,N-DMT (1). The new compound shows tight binding to the 5-HT2AR, retaining all important interactions of lysergic acid diethylamide (LSD), exhibits positive membrane permeability, and has a strong red-shifted absorption that would allow photocontrol in the visible spectrum. | |||||||
| Rechtliche Vermerke: | Originalveröffentlichung:
Palmisano, V. F., Agnorelli, C., Faraji, S., & Nogueira, J. J. (2025). Computational design of an improved photoswitchable psychedelic based on light absorption, membrane permeation and protein binding. Physical Chemistry, Chemical Physics, 27(36), 19454–19464. https://doi.org/10.1039/d5cp01252j | |||||||
| Lizenz: |  Dieses Werk ist lizenziert unter einer Creative Commons Namensnennung 4.0 International Lizenz | |||||||
| Fachbereich / Einrichtung: | Mathematisch- Naturwissenschaftliche Fakultät | |||||||
| Dokument erstellt am: | 16.03.2026 | |||||||
| Dateien geändert am: | 16.03.2026 |
