New designs for MRI contrast agents

• Tipo: Artigo em Revista Científica Internacional
• Data: 2003

Autores

Fernandes, PA (Autor) FCUP; Carvalho, ATP (Autor) Outra; Marques, AT (Autor) Outra; Pereira, ALF (Autor) Outra; Madeira, APS (Autor) Outra; Ribeiro, ASP (Autor) Outra; Carvalho, AFR (Autor) Outra; Ricardo, ETA (Autor) Outra; Pinto, FJV (Autor) Outra; Santos, HA (Autor) Outra; Mangericao, HDG (Autor) Outra; Martins, HM (Autor) Outra; Pinto, HDB (Autor) Outra; Santos, HRR (Autor) Outra; Moreira, IS (Autor) Outra; Azeredo, MJV (Autor) Outra; Abreu, RPS (Autor) Outra; Oliveira, RMS (Autor) Outra; Sousa, SFM (Autor) Outra; Silva, RJAM (Autor) Outra; Mourao, ZS (Autor) Outra; Ramos, MJ (Autor) FCUP

Revista

Título: Journal of Computer-Aided Molecular Design

Vol. 17

Páginas: 463-473

ISSN: 0920-654X

Editora: Springer Nature

Indexação

ISI Web of Knowledge - 10 Citações

Scopus - 11 Citações

Classificação Científica

FOS: Ciências exactas e naturais > Ciências da computação e da informação

Outras Informações

ID Authenticus: P-000-G3V

DOI: 10.1023/a:1027347527385

Abstract (EN): New designs for Magnetic Resonance Imaging contrast agents are presented. Essentially, they all are host-guest inclusion complexes between. gamma-cyclodextrins and polyazamacrocycles of gadolinium (III) ion. Substitutions have been made to the host to optimise the host-guest association. Molecular mechanics calculations have been performed, using the UFF force field for metals, to decide on the suitability of the substitutions, and to evaluate the host-guest energies of association. Interesting general conclusions have been obtained, concerning the improvement of Magnetic Resonance Imaging contrast agents; namely, a set of rational methodologies have been deduced to improve the association between the gadolinium (III) chelates and the cyclodextrins, and their efficiency is demonstrated with a large set of substituted complexes, opening new doors to increase the diagnostic capabilities of Magnetic Resonance Imaging.

Idioma: Inglês

Tipo (Avaliação Docente): Científica

Nº de páginas: 11