The phosphatase of regenerating liver 3, or PRL3, is one of the most promising targets among the protein tyrosine phosphatase superfamily. It is known to regulate several pathways related to oncogenesis and increased metastasis. As such, several on-going drug discovery programs target PRL3 towards the development of migrastatics. We have identified several molecules with validated binding and modest inhibition against PRL3. While these molecules provide scaffold for development of more inhibitors, they currently have weak inhibitory activity and are still being developed. This project launched a high-throughput virtual screening campaign targeting a pocket that was previously identified through simulations and computational analysis. This virtual screening uses a library of >3 million lead-like molecules. Preliminary analysis revealed that several top binders have structural similarity to previous hits. Clustering analysis will identify other unique structural features based on this screen to support drug discovery against PRL3.
