Physico-chemical analysis, systematic benchmarking, and toxicological aspects of the JWH aminoalkylindole class-derived synthetic JWH cannabinoids

  • Catalina Mercedes Burlacu Dunarea de Jos University of Galati
  • Adrian Constantin Burlacu Dunarea de Jos University of Galati
  • Mirela Praisler Dunarea de Jos University of Galati
DOI: https://doi.org/10.35219/ann-ugal-math-phys-mec.2021.1.06
Keywords: JWH synthetic cannabinoids, QSAR descriptors, ADMET prediction

Abstract

We are presenting the results obtained by computing different toxicity indices for some of the newest JWH synthetic cannabinoids, by using (Q)SAR models, ADME(T) predictions, simulations of NMR spectral techniques and other different computational dedicated software packages and forensic analytical tools. We have examined the main physical and chemical properties and evaluated the behavioral neurotoxicity and pharmacokinetic profile of 16 aminoalkylindole class-derived synthetic cannabinoids JWH as compared to the Delta-9-tetrahydrocannabinol (Δ9-THC), which was chosen as a standard compound. For this purpose, the geometries of the molecules have been optimized by using the AM1 semi-empirical quantum method. The conclusions of a comparative analysis of the toxicities of synthetic and natural cannabinoids are presented.

Published
2021-11-12
How to Cite
Burlacu, C., Burlacu, A. and Praisler, M. (2021) “Physico-chemical analysis, systematic benchmarking, and toxicological aspects of the JWH aminoalkylindole class-derived synthetic JWH cannabinoids”, Analele Universității ”Dunărea de Jos” din Galați. Fascicula II, Matematică, fizică, mecanică teoretică / Annals of the ”Dunarea de Jos” University of Galati. Fascicle II, Mathematics, Physics, Theoretical Mechanics, 44(1), pp. 34-45. doi: https://doi.org/10.35219/ann-ugal-math-phys-mec.2021.1.06.
Issue
Vol 44 No 1 (2021)
Section
Articles

Most read articles by the same author(s)

Obs.: This plugin requires at least one statistics/report plugin to be enabled. If your statistics plugins provide more than one metric then please also select a main metric on the admin's site settings page and/or on the journal manager's settings pages.