title: Key aspects of the Novartis compound collection enhancement project for the compilation of a comprehensive chemogenomics drug discovery screening collection.
abstract: The NIBR (Novartis Institutes for BioMedical Research) compound collection enrichment and enhancement project integrates corporate internal combinatorial compound synthesis and external compound acquisition activities in order to build up a comprehensive screening collection for a modern drug discovery organization. The main purpose of the screening collection is to supply the Novartis drug discovery pipeline with hit-to-lead compounds for today's and the future's portfolio of drug discovery programs, and to provide tool compounds for the chemogenomics investigation of novel biological pathways and circuits. As such, it integrates designed focused and diversity-based compound sets from the synthetic and natural paradigms able to cope with druggable and currently deemed undruggable targets and molecular interaction modes. Herein, we will summarize together with new trends published in the literature, scientific challenges faced and key approaches taken at NIBR to match the chemical and biological spaces.
authors.affiliation: Novartis Institutes for BioMedical Research, CH-4002 Basel, Switzerland. edgar.jacoby@pharma.novartis.com
authors.forename: Edgar
authors.initials: E
authors.lastname: Jacoby
authors.forename: Ansgar
authors.initials: A
authors.lastname: Schuffenhauer
authors.forename: Maxim
authors.initials: M
authors.lastname: Popov
authors.forename: Kamal
authors.initials: K
authors.lastname: Azzaoui
authors.forename: Benjamin
authors.initials: B
authors.lastname: Havill
authors.forename: Ulrich
authors.initials: U
authors.lastname: Schopfer
authors.forename: Caroline
authors.initials: C
authors.lastname: Engeloch
authors.forename: Jaroslav
authors.initials: J
authors.lastname: Stanek
authors.forename: Pierre
authors.initials: P
authors.lastname: Acklin
authors.forename: Pascal
authors.initials: P
authors.lastname: Rigollier
authors.forename: Friederike
authors.initials: F
authors.lastname: Stoll
authors.forename: Guido
authors.initials: G
authors.lastname: Koch
authors.forename: Peter
authors.initials: P
authors.lastname: Meier
authors.forename: David
authors.initials: D
authors.lastname: Orain
authors.forename: Rudolph
authors.initials: R
authors.lastname: Giger
authors.forename: Jürgen
authors.initials: J
authors.lastname: Hinrichs
authors.forename: Karine
authors.initials: K
authors.lastname: Malagu
authors.forename: Jürg
authors.initials: J
authors.lastname: Zimmermann
authors.forename: Hans-Joerg
authors.initials: HJ
authors.lastname: Roth
mesh_terms: D000818:Animals; D001185:Artificial Intelligence; D020650:Combinatorial Chemistry Techniques; D015195:Drug Design; D004353:Drug Evaluation, Preclinical / Q000379:methods*; D023281:Genomics / Q000379:methods*; D006801:Humans; D019151:Peptide Library
chemical_list: D019151:Peptide Library