title: Exploration of the Medicinal Peptide Space.
abstract: The chemical properties of peptide medicines, known as the 'medicinal peptide space' is considered a multi-dimensional subset of the global peptide space, where each dimension represents a chemical descriptor. These descriptors can be linked to biofunctional, medicinal properties to varying degrees. Knowledge of this space can increase the efficiency of the peptide-drug discovery and development process, as well as advance our understanding and classification of peptide medicines. For 245 peptide drugs, already available on the market or in clinical development, multivariate dataexploration was performed using peptide relevant physicochemical descriptors, their specific peptidedrug target and their clinical use. Our retrospective analysis indicates that clusters in the medicinal peptide space are located in a relatively narrow range of the physicochemical space: dense and empty regions were found, which can be explored for the discovery of novel peptide drugs.
authors.forename: Bert
authors.initials: B
authors.lastname: Gevaert
authors.forename: Sofie
authors.initials: S
authors.lastname: Stalmans
authors.forename: Evelien
authors.initials: E
authors.lastname: Wynendaele
authors.forename: Lien
authors.initials: L
authors.lastname: Taevernier
authors.forename: Nathalie
authors.initials: N
authors.lastname: Bracke
authors.forename: Matthias
authors.initials: M
authors.lastname: D'Hondt
authors.affiliation: Drug Quality and Registration (DruQuaR) group, Department of Pharmaceutical Analysis, Faculty of Pharmaceutical Sciences, Ghent University, Ottergemsesteenweg 460, 9000 Ghent, Belgium. Bart.DeSpiegeleer@UGent.be.
authors.forename: Bart
authors.initials: B
authors.lastname: De Spiegeleer
mesh_terms: D000465:Algorithms; D062126:Databases, Chemical; D062313:Databases, Pharmaceutical; D055808:Drug Discovery / Q000379:methods*; D010455:Peptides / Q000494:pharmacology*; D025341:Principal Component Analysis
chemical_list: D010455:Peptides