Károly Kubicskó, Ödön Farkas

ELTE, The Department of Organic Chemistry

Publication: Quantum chemical (QM:MM) investigation of the mechanism of enzymatic reaction of tryptamine and N,N-dimethyltryptamine with monoamine oxidase A

Abstract: In our study we suggest a chemical mechanistic process between the biogen, strong hallucinogenic trace amine DMT and monoamine oxidase A (MAO-A) enzyme. We found that the hydride ion transfer from the alpha carbon atom of the amine is only favourable, when the flavin ring (in the enzyme) is protonated at a specific position. Our resuts are in accord with previous mechanistic studies in the research of metabolism of neurotransmitters by monoamine oxidase.