Protein-ligand Interactions


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.