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.
Highlights
Commercial preparations containing synthetic cannabinoids are rapidly emerging as drugs of abuse
Often assumed to be “safe” and “legal” alternatives to cannabis, reports indicate that synthetic cannabinoids induce toxicity not often associated with the primary psychoactive component of marijuana, Δ9-tetrahydrocannabinol (Δ9-THC)
The present paper provides a review of the main toxic activities of Huffman synthetic cannabinoids probably due to strong CB1 receptor stimulation, as synthetic cannabinoids have a high affinity for the CB1 receptor
Summary
Commercial preparations containing synthetic cannabinoids are rapidly emerging as drugs of abuse. Physico-chemical analysis of chemicals both in vitro and in vivo is a major research direction, it is increasingly considered in recent times that in silico studies in medicine have the potential to accelerate the rate of discovery, while reducing the need for expensive laboratory work and lengthy clinical trials In this regard, physico-chemical analysis, biological and toxicological evaluation of synthetic compounds, precursors and derivatives, highlighting patterns of consumption of psychoactive substances, spectral methods of characterization and identification, artificial intelligence, and expert systems are among the most effective methods for the identification, research, and testing of new drugs or emerging chemical compounds, being, at the same time, formidable tools in the fight against trafficking networks of high-risk substance [2]. The present paper provides a review of the main toxic activities of Huffman synthetic cannabinoids probably due to strong CB1 receptor stimulation, as synthetic cannabinoids have a high affinity for the CB1 receptor
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