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
We have developed the Computational Analysis of Novel Drug Opportunities (CANDO) platform to infer homology of drug behaviour at a proteomic level by constructing and analysing structural compound-proteome interaction signatures of 3,733 compounds with 48,278 proteins in a shotgun manner. We applied the CANDO platform to predict putative therapeutic properties of 428 psychoactive compounds that...