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本数据集仓库包含以下内容： 生化聚集检测实验 硫黄素T（Thioflavin T, ThT）荧光动力学原始轨迹（野生型（Wild Type, WT）与P301S R2R3重组载体构建体） 曲线下面积（Area Under the Curve, AUC）归一化及回归分析结果 托卡朋（tolcapone）与恩他卡朋（entacapone）的全局动力学拟合数据集与网格图 透射电子显微镜（Transmission Electron Microscopy, TEM） TEM图像 原纤维宽度测量数据 用于原纤维宽度自动定量的ImageJ宏脚本 补充数据集 吸光度原始回归分析结果 额外的ThT荧光动力学轨迹 计算分析内容 分子力学-广义玻恩表面积（Molecular Mechanics-Generalized Born Surface Area, MM-GBSA）结合自由能计算结果（涵盖所有变体与重复实验样本） 残基水平能量分解分析结果