The overall goal of our research is to develop and apply innovative computational methodologies for drug design and discovery to address problems at the interface between chemistry, biology and medicine. Research activities focus on modelling protein-ligand interactions, structure-based drug design, molecular dynamics, homology modelling, structure-based drug design, QSAR, and the application of artificial intelligence to drug discovery. In this respect, we are developing and applying tailored in silico strategies to design several classes of bioactive compounds targeted to specific diseases, with particular reference to cancer and neurodegenerative diseases. We are also developing novel platforms efficiently integrating different in silico approaches to facilitate polypharmacology, drug repurposing and de novo design of preclinical candidate drugs. Chemical synthesis and biological evaluation of the designed compounds are performed in house and through external collaborations.
Our laboratory is located at the Department of Life Sciences
of the University of Modena and Reggio Emilia.