The limitations of this research should also be discussed because of the dependence on various tools and software used in the study. First, the simulations used do not account for the role of water molecules in ligand binding, and the dynamic and conformational changes in the protein are not considered. To address these restrictions, future studies should involve dynamic molecule simulations and binding energy calculations to predict the variance in fibril structure in the presence of ligands. Furthermore, experimental validation of the computational research will be crucial.