Molecular modeling of haloalkane dehalogenase enzymes aiming at their rational modification in order to enhance activity.

Research on drug design of enzyme inhibitors (MMPs and CAs) aided by computational methods, with synthesis and biological evaluation of the compunds designed. Another area is the development of new multifunctional compounds against Alzheimer's disease. Molecular modeling of the compounds is followed by their synthesis and biological evaluation.

Molecular modeling of new enzyme inhibitors. Docking, molecular dynamics and quantum mechanics.

Thesis entitled “New Matrix Metalloproteinase and Carbon Anhydrase Inhibitors: Synthesis, Inhibition and Complexation Studies”.Involving the areas of organic synthesis, analytical chemistry, and enzyme inhibition studies.