In the area of protein-small ligand interactions, we have been working on various systems:
(i) the PICK1 PDZ domain;
(ii) the nitric oxide synthase isoforms;
(iii) the TEM family of β-lactamases;
(iv) the nicotinamide phosphoribosyltransferases and nicotinamidases.
All these studies result from an interchange of ideas with experimental groups with as a final goal the production of better and more specific inhibitors. Another project in which we are involved is the in silico design of semi-synthetic chalcogenoenzymes to evaluate their potential catalytic activity toward the reduction of organic hydroperoxides by specific thiols.