Non-covalent interactions in protein-ligand complexes are known as a key binding mode of drugs to their targets, however, the types of non-covalent interactions are not fully understood. Here, the authors develop a library of galectin-8N inhibitors by structural modifications of a known lead compound, achieving a selective nanomolar inhibitor of galectin-8N and identifying non-canonical cation-π interactions between a 2-propargyl-d-galactoside moiety and galectin-8N.
- Edvin Purić
- Mujtaba Hassan
- Marko Anderluh
