Integrative structural approaches to protein function
A variety of proteins perform complex functions, often needing cofactors and metallic centers. I use a mix of techniques to study the structural and functional properties of biologically important enzymes like kinases, proteases, and oxidoreductases. These techniques range from different types of X-ray crystallography to scattering (SAXS) and spectroscopic methods (UV-vis, SR-CD, and EXAFS-XANES).
Additionally, I employ high-throughput methods for enzyme production and purification, along with biochemical and biophysical methods to evaluate their activity and supramolecular assembly. This comprehensive approach has recently provided a wealth of data to explain the reaction mechanisms of peroxidases, dehydratases, and dehydrogenases.
Green biochemistry, ecotoxicology and bioremediation
I’m also interested in developing enzymes that can reduce the environmental impact of complex chemical syntheses by using simple, clean reactants in highly efficient reactions that produce fewer byproducts.
In a recent PhD student’s project, we focused on modulating the activity of a metalloenzyme by substituting different metals, enabling it to perform up to six different types of reactions selectively and efficiently. We are now able to combine our structural data with computational methods to modify the substrate binding site properties, directing specific catalysis to the desired substrates.
Given the significant issue of toxic chemical release into the environment, I also focus on the bioremediation of mycotoxins and pollutants from the accumulation of medicines in wastewater. As part of the COST action CA21111 - One Health drugs against parasitic vector-borne diseases in Europe and beyond (OneHealthdrugs), I collaborate with an international team of researchers to design new drugs and repurpose existing ones, balancing therapeutic effectiveness with ecotoxicological considerations.
Method development for structural biology and beamlines
With the team of I04, I have contributed to the improvements of the beamline and I am actively investigating the integration of components to new feature (such as real-time flux estimation for dose-dependent data collection).
I have also been exploring tools to capture complementary information from the crystals and techniques for manipulation of sample under special conditions.
I am currently studying semi-automated methods for the optimisation of the crystallization space and post-crystallisation sample improvement techniques.
With the I04 team, I have contributed enhancing the beamline capabilities and I am actively working on integrating new features (recently real-time flux measurements for dose-dependent data collection). I have also been exploring tools to gather additional information from crystals and techniques for manipulating samples under special conditions.
Currently, I am studying semi-automated methods to optimise the crystallisation space and improve samples after crystallisation.