Critical overview on the structure and metabolism of human aldehyde oxidase and its role in pharmacokinetics
C Mota, C Coelho, S Leimkühler, E Garattini… - Coordination Chemistry …, 2018 - Elsevier
Aldehyde oxidases are molybdenum and flavin dependent enzymes characterized by a very
wide substrate specificity and performing diverse reactions that include oxidations (eg …
wide substrate specificity and performing diverse reactions that include oxidations (eg …
The current limits in virtual screening and property prediction
MC Hutter - Future Medicinal Chemistry, 2018 - Taylor & Francis
Beyond finding inhibitors that show high binding affinity to the respective target, there is the
challenge of optimizing their properties with respect to metabolic and toxicological issues, as …
challenge of optimizing their properties with respect to metabolic and toxicological issues, as …
From experiments to a fast easy-to-use computational methodology to predict human aldehyde oxidase selectivity and metabolic reactions
G Cruciani, N Milani, P Benedetti, S Lepri… - Journal of Medicinal …, 2018 - ACS Publications
Aldehyde oxidase (AOX) is a molibdo-flavoenzyme that has raised great interest in recent
years, since its contribution in xenobiotic metabolism has not always been identified before …
years, since its contribution in xenobiotic metabolism has not always been identified before …
Computational Insight Into Vitamin K1 ω-Hydroxylation by Cytochrome P450 4F2
Vitamin K1 (VK1) plays an important role in the modulation of bleeding disorders. It has
been reported that ω-hydroxylation on the VK1 aliphatic chain is catalyzed by cytochrome …
been reported that ω-hydroxylation on the VK1 aliphatic chain is catalyzed by cytochrome …
[HTML][HTML] TPT sulfonate, a single, oral dose schistosomicidal prodrug: In vivo efficacy, disposition and metabolic profiling
Abstract Treatment of schistosomiasis relies precariously on just one drug, praziquantel
(PZQ). In the search for alternatives, 15 S-[2-(alkylamino) alkane] thiosulfuric acids were …
(PZQ). In the search for alternatives, 15 S-[2-(alkylamino) alkane] thiosulfuric acids were …
Enzymatic Late‐Stage Oxidation of Lead Compounds with Solubilizing Biomimetic Docking/Protecting groups
C Vickers, G Backfisch, F Oellien, I Piel… - … –A European Journal, 2018 - Wiley Online Library
Late‐stage functionalization of lead compounds is of high interest in drug discovery since it
offers an easy access to metabolites and derivatives of a lead compound without the need to …
offers an easy access to metabolites and derivatives of a lead compound without the need to …
Biotransformation of 4‐fluoro‐N‐(1‐{2‐[(propan‐2‐yl)phenoxy]ethyl}‐8‐azabicyclo[3.2.1]octan‐3‐yl)‐benzenesulfonamide, a novel potent 5‐HT7 receptor antagonist …
K Słoczyńska, K Wójcik‐Pszczoła… - … of Biochemical and …, 2018 - Wiley Online Library
The aim of the study was to investigate the metabolism of 4‐fluoro‐N‐(1‐{2‐[(propan‐2‐yl)
phenoxy] ethyl}‐8‐azabicyclo [3.2. 1] octan‐3‐yl)‐benzenesulfonamide (PZ‐1150), a novel …
phenoxy] ethyl}‐8‐azabicyclo [3.2. 1] octan‐3‐yl)‐benzenesulfonamide (PZ‐1150), a novel …