Human lectins have many physio/pathological roles since they can act as a proinflammatory and protumoral effectors, and play a role in the recognition of several pathogens. Complement is central to innate immunity with roles in bacterial killing and apoptosis, but may contribute to pathologies when its activation is uncontrolled.
In this context, our work is focused on the elucidation of the mechanisms that govern natural and synthetic oligosaccharides recognition by different lectins (siglecs, galectins, DC-SIGN) and Complement system proteins. We apply a combination of fragment-based design, virtual screening, docking and MD simulations to understand how the bioinformation contained in glycans is transferred to biological/pathological processes via protein interactions, and to design glycomimetics as modulators. The potential for therapeutical exploitation is enormous.