Xavier Barril's research focuses on the discovery of bioactive molecules exploiting unusual mechanisms of action through a combined use of computational and experimental techniques. His group also develops new computational tools (druggability predictions, docking, dynamic undocking) and strives to improve the molecular understanding of pharmacologically important biological events (e.g. binding kinetics, allosterism). Prof. Barril received his Ph.D. from the Barcelona University (UB) in 2001 for theoretical studies on the molecular recognition processes. He then joined Vernalis (Cambridge, UK), where he was involved in a range of drug discovery projects. In 2005 he was appointed ICREA Research Professor and went back to the UB. Prof. Barril has co-authored more than 70 scientific publications as well as 8 patents. He is also co-founder of Minoryx Therapeutics, a company focusing in the development of new treatments for rare diseases.

Research interests

We are interested in discovering bioactive molecules (chemical probes) as a means to validate new points of pharmacological intervention. We aim to expand the so-called druggable genome by targeting so-far unexploited sites that elicit a biological response through non-standard mechanisms of action, such as conformational trapping, stabilisation of protein-protein complexes or allosterism.

To achieve this objective we employ a multi-disciplinary and question-driven approach that combines computational, biophysical and biological techniques. We are particularly strong in computer-aided drug design and develop computational approaches that enable us to tackle such novel and difficult targets with confidence.