The pregnane X receptor (PXR) is a kind of orphan nuclear receptor activated by a series of
ligands. Environmental endocrine disruptors (EEDs) are a wide class of molecules present …

Highlights•PXR and CAR regulate drug disposition and human diseases.•PXR and CAR are
potential drug targets.•Small molecules modulating specific function of PXR or CAR are …

Successful drug discovery projects require control and optimization of compound properties
related to pharmacokinetics, pharmacodynamics, and safety. While volume and chemotype …

Hepatic toxicity is a key concern for novel pharmaceutical drugs since it is difficult to
anticipate in preclinical models, and it can originate from pharmacologically unrelated drug …

Cytochrome P450 (CYP) enzymes play an important role in the phase I metabolism of many
xenobiotics. Most drug–drug interactions (DDIs) associated with CYP are caused by either …

Drug-induced cholestasis is an important form of acquired liver disease and is associated
with significant morbidity and mortality. Bile acids are key signaling molecules, but they can …

Artificial intelligence offers promising solutions for property prediction, compound design,
and retrosynthetic planning, which are expected to significantly accelerate the search for …

This perspective discusses the role of pregnane xenobiotic receptor (PXR) in drug discovery
and the impact of its activation on CYP3A4 induction. The use of structural biology to reduce …

The increased capacity to rapidly eliminate drugs can have a profound effect on the
efficacious exposure of coadministered drugs, especially in today's medical world of …

Being in the center of both therapeutic and toxicological concerns, NRs are widely studied
for drug discovery application but also to unravel the potential toxicity of environmental …