title: Drug discovery in the age of systems biology: the rise of computational approaches for data integration.
abstract: The increased availability of large-scale open-access resources on bioactivities of small molecules has a significant impact on pharmacology facilitated mainly by computational approaches that digest the vast amounts of data. We discuss here how computational data integration enables systemic views on a drug's action and allows to tackle complex problems such as the large-scale prediction of drug targets, drug repurposing, the molecular mechanisms, cellular responses or side effects. We particularly focus on computational methods that leverage various cell-based transcriptional, proteomic and phenotypic profiles of drug response in order to gain a systemic view of drug action at the molecular, cellular and whole-organism scale.
authors.affiliation: Structural and Computational Biology Unit, European Molecular Biology Laboratory, Heidelberg, Germany.
authors.forename: Murat
authors.initials: M
authors.lastname: Iskar
authors.forename: Georg
authors.initials: G
authors.lastname: Zeller
authors.forename: Xing-Ming
authors.initials: XM
authors.lastname: Zhao
authors.forename: Vera
authors.initials: V
authors.lastname: van Noort
authors.forename: Peer
authors.initials: P
authors.lastname: Bork
mesh_terms: D000818:Animals; D019295:Computational Biology; D016208:Databases, Factual; D055808:Drug Discovery; D006801:Humans; D004364:Pharmaceutical Preparations / Q000737:chemistry; D010599:Pharmacokinetics; D040901:Proteomics; D049490:Systems Biology / Q000379:methods*
chemical_list: D004364:Pharmaceutical Preparations