Some of the paradigms emerging from the study of the phenomena of phase transitions in finite many-body systems, like, e.g., the atomic nuclues, can be used at profit to solve the protein folding problem (how does a linear sequence of amino acids, immersed in the solvent, code for a unique, biological active, three-dimensional native structure of the protein?), within the framework of simple (although not oversimplified) models. Also to design non-conventional drugs which do not create resistance (do not induce mutations in the virus or bacteria expressing the protein). The application of these concepts to the design of inhibitors of the HIV-1-PR, an enzyme which plays a central role in the life cycle of the HIV virus will be illustrated in terms of all-atom simulations and in vitro experimental results.
|Titolo:||From phase transitions in finite systems to protein folding and non-conventional drug design|
BROGLIA, RICARDO AMERICO (Primo)
|Parole Chiave:||Forces in hadronic systems and effective interactions; nuclear structure models and methods; biological and medical physics: proteins.|
|Settore Scientifico Disciplinare:||Settore FIS/04 - Fisica Nucleare e Subnucleare|
|Data di pubblicazione:||2005|
|Digital Object Identifier (DOI):||10.1393/ncr/i2005-10008-8|
|Appare nelle tipologie:||01 - Articolo su periodico|