Scheda di dettaglio
 

Inibitori dell'interazione TCR/MHCII-collagene utili per il trattamento dell'artrite reumatoide

We recently reported the three-dimensional model structure of the TCR Vβ associated to Collagen II(261-273)/HLA-DR4 complex (De Rosa et al, PloSOne 2010 Jul 14;5(7):e11550.). This was used as the starting point for the generation of a pharmacophore model using the software LigandScout. This program allows the automatic construction and visualization of 3D pharmacophores from structural data of macromolecule-ligand complexes.

 
 


Inventori

  • DE ROSA MARIA CRISTINA
  • Ria Francesco
  • Giardina Bruno
  • Ferraccioli Gianfranco
  • Pirolli Davide
  • Nicolò Chiara
 
 


TitolaritÀ

  • Consiglio Nazionale delle Ricerche
  • Università Cattolica del Sacro Cuore
 
 


Classificazioni

  • composti eterociclici
  • preparazioni per uso medico, dentale o per l'igiene personale
  • composti aciclici o carbociclici
 
 


Settore Tecnologico

  • Farmaceutica
  • nuove terapie
 
 


Keyword

  • Virtual screening; docking; rheumatoid arthritis; TCR; immunoscope
 
 


Vantaggi

The main advantages of the invention are: 1. The small molecule proposed here selectively blocks only the immune response to the self antigen involved in rheumatoid arthritis, while leaving the ability of the immune system to deal with infectious agents intact and efficient. 2. We tested in vitro the toxic effect of the molecules, and could not detect any induction of apoptosis or necrosis after 3 days of exposure in peripheral blood mononuclear cells for concentrations up to 100 micromolar.
 
 


Applicazioni

Rheumatoid arthritis therapy.
 
fonte dati: "Gestione Trovati" | brevetti.cnr.it | www.cnr.it | Consiglio Nazionale delle Ricerche | P.le Aldo Moro, 7 | 00185 Roma