Historeceptomic Fingerprints for Drug-Like Compounds.

ABSTRACT: Most drugs exert their beneficial and adverse effects through their combined action on several different molecular targets (polypharmacology). The true molecular fingerprint of the direct action of a drug has two components: the ensemble of all the receptors upon which a drug acts and their level of expression in organs/tissues. Conversely, the fingerprint of the adverse effects of a drug may derive from its action in bystander tissues. The ensemble of targets is almost always only partially known. Here we describe an approach improving upon and integrating both components: in silico identification of a more comprehensive ensemble of targets for any drug weighted by the expression of those receptors in relevant tissues. Our system combines more than 300,000 experimentally determined bioact

SUBMITTER: Shmelkov E 

PROVIDER: S-EPMC4683199 | biostudies-literature | 2015

REPOSITORIES: biostudies-literature