IN SILICO EVALUATION OF THE POSSIBLE PHARMACOLOGICAL AND TOXICOLOGICAL ACTIVITIES OF THE SECONDARY COMPOUNDS THAT MAKE UP THE AYAHUASCA BEVERAGE: BANISTERIOPSIS CAAPI AND PSYCHOTRIA VIRIDIS

Abstract

Ayahuasca is a beverage of traditionally indigenous origin, its preparation resulting from the association of two main plant species: Banisteriopsis caapi, rich in β-carboline alkaloids (harmine, harmaline, and tetrahydroharmine), and Psychotria viridis, which contains N,N-dimethyltryptamine (DMT). This combination promotes characteristic psychotropic effects due to the inhibition of monoamine oxidase (MAO) by the alkaloids present, allowing for the oral bioavailability of DMT. In this context, this study sought to analyze the secondary compounds of the plants that make up the ayahuasca beverage in order to analyze pharmacokinetic and toxicological information. Research was conducted on the molecules that compose the beverage, followed by the export of the 3D structures of the molecules from the PubChem platform, and then analysis using the Swiss Target Prediction, Protox 3.0, and PreADMET platforms. Thus, it is concluded that ayahuasca possesses compounds with significant pharmacological potential, but also presents toxicological risks that should not be neglected. The data reinforce the importance of further studies, especially in vivo and clinical studies, for a better understanding of the effects of these substances on the human body.