Combining crystallographic fragment screening, algorithmic merging and digitized chemical synthesis efficiently yields scaffolds that target diverse NCS-1 protein-protein interactions implicated in neurological disorders
Daniel Muñoz-Reyes, Kate K. Fieseler, Max Winokan, Mathew Golding, Eda Çapkın, Matteo Paolo Ferla, Sara Pérez-Suárez, Charlie W. E. Tomlinson, Peter George Marples, Celia Miró-Rodríguez, Alicia Mansilla, D. Fearon, Warren Thompson, F. von Delft, María José Sánchez-Barrena
This paper combines crystallographic fragment screening, algorithmic merging, and automated synthesis to generate scaffolds targeting NCS-1 PPIs involved in neurological disorders.
bioRxiv · Jun 18, 2025 · PreprintBiophysics