The toxicity of psychedelic LSD derivatives: 1-acetyl-LSD (ALD-52), 1-propionyl-LSD (1P-LSD), 1-butyryl-LSD (1B-LSD), 1-valeryl-LSD (1V-LSD) and 1-cyclopropylmethanoyl-LSD (1cP-LSD)—prediction of toxicological parameters relevant to clinical and forensic toxicology using multi-in silico approach
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Key Points
The study aims to evaluate the toxicological profiles of various LSD derivatives using computational methods.
Conducted an in silico assessment using multiple prediction platforms including ADMETlab 3.0 and Percepta.
Predicted acute toxicity and LD50 values in rats for each compound.
Assessed organ-specific toxicity and genotoxicity risks across compounds.
Evaluated cardiotoxicity via hERG channel inhibition for each LSD derivative.
Predicted LD50 values ranged from 49 to 85 mg/kg for the LSD derivatives.
Identified elevated pulmonary toxicity risks for 1V-LSD and 1cP-LSD at 92% and 81%, respectively.
1P-LSD and 1B-LSD exhibited the highest predicted hematotoxicity at 76% and 75%.
Genotoxicity alerts were notably high for ALD-52 and 1cP-LSD with up to 90% probability.
1V-LSD showed the strongest cardiotoxic effect with an IC50 of 1.4 µM.
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Implication
In silico analysis predicts toxicity profiles in psychedelic LSD derivatives, indicating significant risks for clinical and forensic contexts.