Modeling small-molecule reactivity identifies promiscuous bioactive compounds
Scientists rely on high-throughput screening tools to identify promising small-molecule
compounds for the development of biochemical probes and drugs. This study focuses on the …
compounds for the development of biochemical probes and drugs. This study focuses on the …
Identification and characterization of in vivo, in vitro and reactive metabolites of vandetanib using LC–ESI–MS/MS
Vandetanib (Caprelsa tablets, VNT) is an orally inhibitor of vascular endothelial growth
factor receptor 2. The current research reports the characterization and identification of in …
factor receptor 2. The current research reports the characterization and identification of in …
Pharmacokinetics and disposition of momelotinib revealed a disproportionate human metabolite—resolution for clinical development
J Zheng, Y Xin, J Zhang, R Subramanian… - Drug Metabolism and …, 2018 - ASPET
Momelotinib (MMB), a small-molecule inhibitor of Janus kinase (JAK) 1/2 and of activin A
receptor type 1 (ACVR1), is in clinical development for the treatment of myeloproliferative …
receptor type 1 (ACVR1), is in clinical development for the treatment of myeloproliferative …
Metabolomics-assisted metabolite profiling of itraconazole in human liver preparations
JH Kim, WG Choi, JY Moon, JY Lee, S Lee… - … of Chromatography B, 2018 - Elsevier
Itraconazole (ITZ) is a first-generation triazole-containing antifungal agent that effectively
treats various fungal infections. As ITZ has a better safety profile than that of ketoconazole …
treats various fungal infections. As ITZ has a better safety profile than that of ketoconazole …
Rapid screening and characterization of glutathione-trapped reactive metabolites using a polarity switch-based approach on a high-resolution quadrupole orbitrap …
Z Wang, Y Fang, D Rock, J Ma - Analytical and bioanalytical chemistry, 2018 - Springer
Formation of reactive metabolites that are capable to react with macromolecules could
contribute to drug-induced toxicity. As part of early drug screening strategy to support small …
contribute to drug-induced toxicity. As part of early drug screening strategy to support small …
Biomimetic trapping cocktail to screen reactive metabolites: use of an amino acid and DNA motif mixture as light/heavy isotope pairs differing in mass shift
S Hosaka, T Honda, SH Lee, T Oe - Analytical and bioanalytical chemistry, 2018 - Springer
Candidate drugs that can be metabolically transformed into reactive electrophilic products,
such as epoxides, quinones, and nitroso compounds, are of special concern because …
such as epoxides, quinones, and nitroso compounds, are of special concern because …
Reactive metabolite assessment in drug discovery and development in support of safe drug design
A Pähler - Drug-Induced Liver Toxicity, 2018 - Springer
The contribution of chemically reactive metabolites to drug-induced liver injury and other
immune-mediated serious adverse drug reactions has been acknowledged as an important …
immune-mediated serious adverse drug reactions has been acknowledged as an important …