In recent decades, in silico absorption, distribution, metabolism, excretion (ADME), and
toxicity (T) modelling as a tool for rational drug design has received considerable attention …

Following studies in the late 1990s that indicated that poor pharmacokinetics and toxicity
were important causes of costly late-stage failures in drug development, it has become …

Transporters in proximal renal tubules contribute to the disposition of numerous drugs.
Furthermore, the molecular mechanisms of tubular secretion have been progressively …

Over 1 million new cases of all types of cancer are diagnosed each year in the United States
alone, and 559 650 cancer-related deaths were expected to occur in 2007. 1 …

Sucralose is a synthetic organochlorine sweetener (OC) that is a common ingredient in the
world's food supply. Sucralose interacts with chemosensors in the alimentary tract that play a …

Overcoming multidrug resistance represents a major challenge for cancer treatment. In the
search for new chemotherapeutics to treat malignant diseases, drug repurposing gained a …

The development of pharmacological agents able to counteract the mechanisms of drug
resistance in oncology has remained a major goal for the past 10 years. When the …

The central nervous system (CNS) contains important cellular barriers that maintain
homeostasis by protecting the brain from circulating toxins and through the elimination of …

Prediction of P-glycoprotein substrate specificity (S PGP) can be viewed as a constituent part
of a compound's “pharmaceutical profiling” in drug design. This task is difficult to achieve …