Libraries Searching. To enhance our analysis, we developed a separate comprehensive compound library searching pipeline, as illustrated in Figure , that leverages essential information obtained from the potential hit compounds. This pipeline incorporates the extraction of critical features, including shape, electrostatic properties, and pharmacophoric characteristics. By focusing on these key attributes, we were able to narrow down the selection of compounds for subsequent library screening, significantly improving the efficiency and success rate of the hit discovery process. The selected compounds can be ordered directly from existing small molecule libraries or prioritized for synthesis, then tested.