Bernard Testa, Stefanie D. Krämer, Heidi Wunderli-Allenspach, Gerd Folkers (Eds.)
Pharmacokinetic Profiling in Drug Research: Biological, Physicochemical, and Computational Strategies
Informatics and robotics are the workhorses of a technological revolution in
drug research. On them are based combinatorial chemistry, which yields compounds
by the many thousands, and high-throughput bioassays, which screen them for
activity. The results are avalanches of 'hits', which invade the databases like
swarms of locusts. But far from being a plague, these innumerable compounds
become a blessing if properly screened for 'drugability', i.e., for 'drug-like'
properties such as good pharmacokinetic (PK) behavior. Pharmacokinetic profiling
of bioactive compounds has, thus, become a sine qua non condition for
cherry-picking the most promising hits. Just as important, but less visible, are
the structure-property and structure-ADME relations, which emerge from PK
profiling and provide useful feedback when designing new synthetic series.