Target Engagement Measures in Preclinical Drug Discovery: Theory, Methods, and Case Studies

摘要: Target engagement (TE) in drug discovery is generally defined as the interaction of ligands with their target biomolecules. Understanding TE allows research teams to design and interpret quality vivo experiments, providing a more refined assessment validation. It can also orient toward delivering molecules that better enable clinical studies by focusing SAR efforts on optimization projected human performance characteristics. In this chapter, theoretical aspects its importance for addressing issues like selectivity relationship pharmacokinetics pharmacodynamics are addressed. Methods measure directly reviewed along discussion how estimate based pharmacokinetic data. The principles outlined within chapter then demonstrated application effort focused validation novel protein target. Finally, two case discussed which these was used optimize compounds desired characteristics one instance drive de-prioritization decision another.