In Silico Characterization of Bromo-DragonFLY Binding to the 5-HT2A Receptor: Molecular Insights Into a Potent Designer Psychedelic.
Proteins February 1, 2026 Syeda Sumayya Tariq, Urooj Qureshi, Mamona Mushtaq et al.
Bromo-DragonFLY (BDF) is a potent designer psychedelic drug that produces prolonged hallucinations lasting several days and can cause severe toxicity including confusion, tachycardia, hypertension, seizures, renal failure, and death. BDF acts as a potent agonist of the 5-HT2A serotonin receptor. Using molecular docking and all-atom molecular dynamics simulations, the study found that BDF forms a stable and compact complex with the 5-HT2A receptor, characterized by minimal per-residue fluctuations and high hydrogen bond occupancy. The findings suggest strong binding affinities and highly stable complex formation, providing foundational understanding of BDF's molecular interactions as a potent psychedelic agent.