Quantum Chemical Study of the Hydrolysis of Oxidized Endogenous Psychedelic N,N-Dimethyltryptamine
Károly Kubicskó, Richárd Dezső Kovács, Ödön Farkas
The metabolism of biogenic N,N-dimethyltryptamine (DMT) starts with its enzymatic oxidation to indole-3-N,N-dimethylethaniminium cation (imDMT+) by monoamine oxidase (MAO). Following this reaction, a non-enzymatic hydrolysis occurs, yielding indole-3-acetaldehyde (IAL) and dimethylamine (DMA). In our in silico study, using a hybrid DFT method at the M06-2X/aug-cc-pVDZ level, we examined the...