Simulation may illuminate safer cannabinoid drugs

New psychoactive substances, originally developed as potential analgesics but abandoned due to adverse side effects, may still have pharmaceutical value if researchers could nail down the causes of those side effects. A new study from the University of Illinois Urbana-Champaign used deep learning and large-scale computer simulations to identify structural differences in synthetic cannabinoid molecules that cause them to bind to human brain receptors differently from classical cannabinoids.