Repurposed COMT Inhibitors Tolcapone and Entacapone Selectively Suppress Aggregation and Seeding of P301 Mutant TAU in Human Neuronal Models

The repository includes: Biochemical aggregation assays Raw ThT fluorescence kinetic traces (WT and P301S R2R3 constructs) Area under the curve (AUC) normalization and regression outputs Global kinetic fitting datasets and grid plots for tolcapone and entacapone Transmission electron microscopy (TEM) TEM images Fibril width measurements ImageJ macro used for automated fibril width quantification Supplementary datasets Raw absorbance regression outputs Additional ThT kinetic traces Computational analyses MM-GBSA binding free energy calculations (all variants and replicates) Per-residue energy decomposition outputs