Discovery of Potent Inhibitors of α-Synuclein Aggregation Using Structure-Based Iterative Learning
R. I. Horne, E. Andrzejewska, P. Alam, Z. F. Brotzakis, A. Srivastava, A. Aubert, M. Nowinska, R. C. Gregory, R. Staats, A. Possenti, S. Chia, P. Sormanni, B. Ghetti, B. Caughey, T. P. J. Knowles, M. Vendruscolo
This paper uses structure-based machine learning to identify potent small molecule inhibitors of α-synuclein aggregation, achieving compounds two orders of magnitude more potent than previous reports.
bioRxiv · Nov 10, 2021Biophysics