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Identification of Psychoplastogenic N,N-Dimethylaminoisotryptamine (isoDMT) Analogues through Structure-Activity Relationship Studies.

Lee E DunlapArya AzinfarCalvin LyLindsay P CameronJayashri ViswanathanRobert J TombariDouglas Myers-TurnbullJack C TaylorAna Cristina GrodzkiPamela J LeinDavid KokelDavid E Olson
Published in: Journal of medicinal chemistry (2020)
Ketamine, N,N-dimethyltryptamine (DMT), and other psychoplastogens possess enormous potential as neurotherapeutics due to their ability to potently promote neuronal growth. Here, we report the first-ever structure-activity relationship study with the explicit goal of identifying novel psychoplastogens. We have discovered several key features of the psychoplastogenic pharmacophore and used this information to develop N,N-dimethylaminoisotryptamine (isoDMT) psychoplastogens that are easier to synthesize, have improved physicochemical properties, and possess reduced hallucinogenic potential as compared to their DMT counterparts.
Keyphrases
  • structure activity relationship
  • molecular docking
  • human health
  • pain management
  • risk assessment
  • bioinformatics analysis
  • chronic pain
  • case control