Polypharmacology and Adverse Bioactivity Profiles Predict Potential Toxicity and Drug‐Related Adrs
Teresa Kaserer, Veronika Temml, Daniela Schuster · 2014
Pharmacological profiling comprises the estimation and prediction of a compound's pharmacokinetic and toxicological properties. This chapter focuses mainly on mechanism-based toxicity and investigation of adverse drug effects caused by off-target binding. Bioactivity profiling, no matter if in the sense of determining pharmacokinetic and toxicologic properties or exploring the target spectrum of a certain compound, is an important strategy that improves the drug discovery and development process in many ways. In vitro assays are much less costly and time-consuming than in vivo testing, and allow for general investigations as well as for specific proof of principles on isolated targets. Therefore, they are widely applied in research and development. Understanding the molecular mechanisms underlying the biological effects enables a rational approach and the in silico prediction of a compound's behavior in a complex biological system.