title: Recent trends and observations in the design of high-quality screening collections.
abstract: The design of a high-quality screening collection is of utmost importance for the early drug-discovery process and provides, in combination with high-quality assay systems, the foundation of future discoveries. Herein, we review recent trends and observations to successfully expand the access to bioactive chemical space, including the feedback from hit assessment interviews of high-throughput screening campaigns; recent successes with chemogenomics target family approaches, the identification of new relevant target/domain families, diversity-oriented synthesis and new emerging compound classes, and non-classical approaches, such as fragment-based screening and DNA-encoded chemical libraries. The role of in silico library design approaches are emphasized.
authors.affiliation: Novartis Institutes for BioMedical Research, Center for Proteomic Chemistry, Forum 1, Novartis Campus, CH-4056 Basel, Switzerland. steffen.renner@novartis.com
authors.forename: Steffen
authors.initials: S
authors.lastname: Renner
authors.forename: Maxim
authors.initials: M
authors.lastname: Popov
authors.forename: Ansgar
authors.initials: A
authors.lastname: Schuffenhauer
authors.forename: Hans-Joerg
authors.initials: HJ
authors.lastname: Roth
authors.forename: Werner
authors.initials: W
authors.lastname: Breitenstein
authors.forename: Andreas
authors.initials: A
authors.lastname: Marzinzik
authors.forename: Ian
authors.initials: I
authors.lastname: Lewis
authors.forename: Philipp
authors.initials: P
authors.lastname: Krastel
authors.forename: Florian
authors.initials: F
authors.lastname: Nigsch
authors.forename: Jeremy
authors.initials: J
authors.lastname: Jenkins
authors.forename: Edgar
authors.initials: E
authors.lastname: Jacoby
mesh_terms: D020650:Combinatorial Chemistry Techniques; D003198:Computer Simulation; D004247:DNA / Q000737:chemistry; D015195:Drug Design; D055808:Drug Discovery / Q000639:trends; D057166:High-Throughput Screening Assays / Q000639:trends*; D011506:Proteins / Q000737:chemistry; D054852:Small Molecule Libraries / Q000737:chemistry*
chemical_list: D011506:Proteins; D054852:Small Molecule Libraries; D004247:DNA