Computational chemoproteomics to understand the role of selected psychoactives in treating mental health indications
Scientific Reports September 11, 2019 Jonathan Fine, Rachel M. Lackner, Ram Samudrala et al. 33 citations
A computational platform called CANDO, which analyzes structural compound-proteome interaction signatures for 3,733 compounds against 48,278 proteins, was used to predict therapeutic properties of 428 psychoactive compounds from the phenylethylamine, tryptamine, and cannabinoid classes for mental health indications. The predictions showed that these psychoactives ranked among the top for a significant fraction of mental health indications, with a significant preference over non-mental health indications compared to randomized controls. Specific analyses examined tryptamines for sleeping disorders, bupropion for substance abuse disorders, and cannabinoids for epilepsy. The approach may guide identification of novel therapies for mental health and neurological disorders.