Computational chemoproteomics to understand the role of selected psychoactives in treating mental health indications.

ABSTRACT: 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 belong to the phenylethylamine, tryptamine, and cannabinoid chemical classes for treating mental health indications. Our findings indicate that these 428 psychoactives are among the top-ranked predictions for a significant fraction of mental health indications, demonstrating a significant preference for treating such indications over non-mental health indications, relative to randomized controls. Al

SUBMITTER: Fine J 

PROVIDER: S-EPMC6739337 | biostudies-literature | 2019 Sep

REPOSITORIES: biostudies-literature