The adverse effects to humans and environment of only few chemicals are well known.
Absorption, distribution, metabolism, and excretion (ADME) are the steps of pharmaco …

Early consideration of the multiplicity of factors that govern the biological fate of foreign
compounds in living systems is a necessary prerequisite for the quantitative in vitro–in vivo …

Hetero-bifunctional PROteolysis TArgeting Chimeras (PROTACs) represent a new emerging
class of small molecules designed to induce polyubiquitylation and proteasomal-dependent …

Understanding how xenobiotic molecules are metabolized is important because it influences
the safety, efficacy, and dose of medicines and how they can be modified to improve these …

Drug toxicity is frequently caused by electrophilic reactive metabolites that covalently bind to
proteins. Epoxides comprise a large class of three-membered cyclic ethers. These …

Most small-molecule drug candidates fail before entering the market, frequently because of
unexpected toxicity. Often, toxicity is detected only late in drug development, because many …

To date, the main limitations for LC-MS-based untargeted lipidomics reside in the lack of
adequate computational and cheminformatics tools that are able to support the analysis of …

Safe, effective concomitant treatment regimens for tuberculosis (TB) and HIV infection are
urgently needed. Bedaquiline (BDQ) is a promising new anti-TB drug, and efavirenz (EFV) is …

Many adverse drug reactions are thought to be caused by electrophilically reactive drug
metabolites that conjugate to nucleophilic sites within DNA and proteins, causing cancer or …

Aldehyde oxidase (AOX) is a metabolic enzyme catalyzing the oxidation of aldehyde and
aza-aromatic compounds and the hydrolysis of amides, moieties frequently shared by the …