Universitat Rovira i Virgili

Cheminformatics and Nutrition Research Group

Our expertise consist on the use of the same tools as the pharma industry does to find new drugs in molecular databases (i.e., virtual screening with protein-ligand docking, pharmacophores, electrostatic/shape comparisons) but applying them to databases of natural products (and therefore likely to be incorporated as bioactive ingredients, eg for functional food). Since the COVID-19 pandemic, work is underway on the development of antivirals for SARS-CoV-2 (M-pro inhibitors, among others) and on the analysis of virus mutations.


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