New article published
On the Hunt for Metalloenzyme Inhibitors
The Brenk lab has published an article in which they have investigated the presence of metal-coordinating groups in screening libraries and chemical spaces. This can help with the discovery for new inhibitors for metallo enzymes.
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Bruna Schuck
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Published: 29.01.2024
In this study, metal-chelating groups were extracted from protein–ligand complexes and their representation in screening libraries and combinatorial spaces was analyzed. In total, 1,223 metal-chelating groups were identified, about a quarter of which were present in the examined libraries and spaces, underscoring their potential in drug discovery and offering insights for improvement. The read the full article, click here.