Rational Control of Molecular Properties Is Mandatory to Exploit the Potential of PROTACs as Oral Drugs
Giuseppe Ermondi, Diego García Jiménez, Matteo Rossi Sebastiano, Giulia Caron
Abstract
To obtain new oral drugs in the beyond rule of five space, PROTACs among others, molecular properties should be optimized in early drug discovery. Degraders call for design strategies which focus on intramolecular interaction and chameleonicity. In parallel, tailored revalidation of permeability assessment and prediction methods becomes fundamental in this innovative chemical space.
Topics & Concepts
ExploitChemical spaceComputer scienceDrug discoverySpace (punctuation)Intramolecular forceMedicineBioinformaticsChemistryComputer securityBiologyStereochemistryOperating systemProtein Degradation and InhibitorsUbiquitin and proteasome pathwaysPeptidase Inhibition and Analysis