Abstract

Pattern Recognition Receptors (PRRs) are especialized in the especific recognition of molecular patterns. In particular, Toll-like receptors (TLR, main actors in innate immunity) recognize Gram-negative bacterial
lypopolisaccharides (LPS), and Galectins (important role in infection, inflammatory diseases and tumor progression) recognize beta-galactosides.

The molecular basis of the interaction and response, at atomic level, are still elusive. Our computational studies aim to understand the molecular details of ligand recognition as a source of new compounds able to modulate the target behaviour with possible therapeutic applications.