Mercoledì 28 Giugno 2023,
ore 13 Edificio Asclepio U8 - Aula 4
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A new paradigm for pharmacological research triggered by physics-based computer simulations Physics-based computer simulations can provide microscopic insight into fundamental biomolecular processes, but are limited by their huge computational load. Our team has developed advanced algorithms that overcome some of these issues, making it possible for the first time to microscopically reconstruct protein folding mechanisms with an atomic level of resolution.
This technology led us to develop a new paradigm for drug discovery named Pharmacological Protein Inactivation by Folding Intermediate Targeting (PPI-FIT), which is based on finding small molecules that trigger protein degradation by hindering the folding process. For example, using PPI-FIT we found small molecules that can selectively modulate the cellular expression of the human prion protein, which is involved in neurodegenerative diseases for which conventional methods have been largely ineffective. In August 2023, an experiment in the International Space Station will exploit microgravity conditions to attempt the crystallization of partially folded PrP proteins in complex with one of the small molecules we discovered using PPI-FIT. In the last part of this talk, I will discuss how emerging computational technologies (AI and quantum computers) may help us enlarge the range of applicablity of molecular simulations, potentially suggesting new therapeutic strategies. The talk is intended for a broad multidisciplinary audience.
Prof. Pietro Faccioli Dipartimento Fisica “ Giuseppe Occhialini” - UNIMIB
Pietro Faccioli graduated in Physics from U. Treno and earned his PhD in theoretical nuclear physics at the State University of New York at Stony Brook (USA). He was post doc at the European Centre for Theoretical Nuclear Physics and Related Areas and visiting scientist at M.I.T. (USA) and CEA (France), before joining the faculty of U. Trento in 2005. Since 2006 his research focuses in exploiting mathematical methods from theoretical physics to develop and apply advanced algorithms for biomolecular simulations.