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Updated: Jan 14, 2026
Utilizing Time-Resolved Protein-Induced Fluorescence Enhancement to Identify Stable Local Conformations One α-Synuclein Monomer at a Time
Published on: May 30, 2021
Machine learning prediction of multiple distinct high-affinity chemotypes for α-synuclein fibrils
Xinning Li1, Ryann M Perez1, Zhude Tu2
1Department of Chemistry, School of Arts and Sciences, University of Pennsylvania, 231 South 34th Street, Philadelphia, PA 19104, USA. ejpetersson@sas.upenn.edu.
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To identify new ligands for positron emission tomography imaging of α-synuclein aggregates, we developed a machine learning model trained on <300 binding measurements. We used scaffold-guided curation to select a 30 compound prospective set from a 140-million-member library. Experimental validation yielded five high-affinity binders, showing robust generalization for ligand discovery.
