Phytochemical and Neuropharmacological Evaluation of Banisteriopsis caapi, Paullinia cupana, and Turnera diffusa for Potential Anti-Addiction Activity
Journal of Advances in Medicine and Pharmaceutical Sciences May 24, 2026 Fernando Benevenuto, Iscia Martha Franco, Antonio Eizirik et al.
Harmine, caffeine, and damianin—compounds from three Brazilian medicinal plants—show multi-target neuropharmacological activity that could help treat addiction. Computational docking predicted harmine as a selective D2 receptor partial agonist (−10.2 kcal/mol), caffeine as a moderate 5-HT2A modulator (−8.1 kcal/mol), and damianin as a GABA-A agonist-like compound (−9.5 kcal/mol). Network simulations suggested synergistic modulation of dopaminergic, serotonergic, and GABAergic pathways. ADMET profiles indicated favorable brain permeability and oral bioavailability, though harmine showed moderate CYP2D6 inhibition. The findings support a triadic pharmacodynamic model for mitigating craving and withdrawal, but require further validation.