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New Cannabinoid-Derived Ligands with Potential Inhibitory Effects on Human Acetylcholinesterase (hAChE): An In-Silico Study

  • 2025
  • OriginalPaper
  • Chapter
Published in:
Authors
Letícia de A. Nascimento
Érica C. M. Nascimento
João B. L. Martins
Published in
Computational Intelligence in Drug Development
Publisher
Springer Nature Switzerland

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Abstract

This chapter delves into the potential of new cannabinoid-derived ligands to inhibit human acetylcholinesterase (hAChE), a key enzyme in neurodegenerative diseases like Alzheimer's and Parkinson's. Through in-silico studies, the research models and evaluates the interactions of these ligands with hAChE, highlighting their inhibitory effects. The study also explores the therapeutic potential of cannabinoids, particularly Δ9-tetrahydrocannabinol (Δ9-THC), in treating neurodegenerative conditions. The results suggest that the designed ligands, especially HET0, exhibit strong inhibitory potential against hAChE, with significant implications for drug design and neurodegenerative disease treatment. The chapter concludes by discussing the broader applications of in-silico techniques in developing new therapeutic strategies, emphasizing the importance of further research in this area.
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previous chapter Beyond Healing: Aloe Vera’s Therapeutic Properties and Potential Drug Interactions
next chapter Therapeutic Peptides: Innovation and Potential at the Frontier of Medicine and Pharmacology
Title
New Cannabinoid-Derived Ligands with Potential Inhibitory Effects on Human Acetylcholinesterase (hAChE): An In-Silico Study
Authors
Letícia de A. Nascimento
Érica C. M. Nascimento
João B. L. Martins
Copyright Year
2025
Book
Computational Intelligence in Drug Development

Print ISBN: 978-3-032-07365-5

Electronic ISBN: 978-3-032-07366-2

Copyright Year: 2025

DOI
https://doi.org/10.1007/978-3-032-07366-2_5
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