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Wolfgang Weinmann

5 papers in the library · 72 citations · publishing 2017-2026

Papers

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Explainable Artificial Intelligence (xAI) for 5-HT2A Receptor Binding Affinity of New Psychoactive Substances.

Molecules June 1, 2026 Verena Schöning, Katharina Elisabeth Grafinger, Daniel Pasin et al.

New psychoactive substances (NPS) are a heterogeneous group of recreational drugs that mimic the actions and psychoactive effects of existing pharmaceutical products or recreational drugs. As NPS can be highly potent, even exceeding their template compound's potency, there are frequent reports of non-fatal and fatal intoxications. One principal target for hallucinogenic and psychedelic drugs,...

DOI: 10.3390/molecules31111888 (opens in new tab) Full text (opens in new tab) 5-ht2a Nps Binding affinity Classification model +2

Investigating the ability of the microbial model Cunninghamella elegans for the metabolism of synthetic tryptamines

Drug Testing and Analysis November 21, 2018 Katharina Elisabeth Grafinger, Andreas Wilke, Stefan König et al. 15 citations

Abstract Tryptamines can occur naturally in plants, mushrooms, microbes, and amphibians. Synthetic tryptamines are sold as new psychoactive substances (NPS) because of their hallucinogenic effects. When it comes to NPS, metabolism studies are of crucial importance, due to the lack of pharmacological and toxicological data. Different approaches can be taken to study in vitro and in vivo...

DOI: 10.1002/dta.2544 (opens in new tab) Tryptamines Biotransformation Metabolism Hydroxylation +5

Study of the in vitro and in vivo metabolism of 4-HO-MET

Forensic Science International July 4, 2018 Pia Simona Bruni, Katharina Elisabeth Grafinger, Susanne Nussbaumer et al. 13 citations

4-Hydroxy-N-methyl-N-ethyltryptamine (4-HO-MET) is a new psychoactive substance (NPS) of the chemical class of tryptamines. It shows structural similarities to the endogenous neurotransmitter serotonin, and is a serotonergic hallucinogen, affecting emotional, motoric, and cognitive functions. The knowledge about its biotransformation is mandatory to confirm the abuse of the substance by urine...

DOI: 10.1016/j.forsciint.2018.06.037 (opens in new tab) Metabolite Glucuronidation Oxidative deamination In vivo +11

In vitro phase I metabolism of three phenethylamines 25D‐NBOMe, 25E‐NBOMe and 25N‐NBOMe using microsomal and microbial models

Drug Testing and Analysis July 3, 2018 Katharina Elisabeth Grafinger, Katja Stahl, Andreas Wilke et al. 13 citations

) receptors and show hallucinogenic effects. The present study investigated the metabolism of 25D-NBOMe, 25E-NBOMe, and 25N-NBOMe using the microsomal model of pooled human liver microsomes (pHLM) and the microbial model of the fungi Cunninghamella elegans (C. elegans). Identification of metabolites was performed using liquid chromatography-high resolution-tandem mass spectrometry (LC-HR-MS/MS)...

DOI: 10.1002/dta.2446 (opens in new tab) Phenethylamines In vitro Microsome Pharmacology +1

Study of the in vitro and in vivo metabolism of the tryptamine 5‐MeO‐MiPT using human liver microsomes and real case samples

Drug Testing and Analysis July 5, 2017 Katharina Elisabeth Grafinger, Marianne Hädener, Stefan König et al. 31 citations

Abstract The synthetic tryptamine 5‐methoxy‐ N ‐methyl‐ N ‐isopropyltryptamine (5‐MeO‐MiPT) has recently been abused as a hallucinogenic drug in Germany and Switzerland. This study presents a case of 5‐MeO‐MiPT intoxication and the structural elucidation of metabolites in pooled human liver microsomes (pHLM), blood, and urine. Microsomal incubation experiments were performed using pHLM to...

DOI: 10.1002/dta.2245 (opens in new tab) Tryptamine Urine Chromatography Hydroxylation +8