Biological activity of antitumoural MGBG: the structural variable

• Autor(a) principal: Marques, M. P. M.
• Data de Publicação: 2008
• Outros Autores: Gil, F., Calheiros, R., Battaglia, V., Brunati, A., Agostinelli, E., Toninello, A.
• Tipo de documento: Artigo
• Idioma: eng
• Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
• Texto Completo: http://hdl.handle.net/10316/7581; https://doi.org/10.1007/s00726-007-0009-2
• topic: Adenosylmethionine Decarboxylase; Animals; Antineoplastic Agents; Binding Sites; Calcium; Cell Membrane Permeability; Computer Simulation; Dose-Response Relationship, Drug; Enzyme Inhibitors; Hepatocytes; Hydrogen-Ion Concentration; Male; Mitochondria, Liver; Mitoguazone; Models, Molecular; Quantum Theory; Rats; Rats, Wistar; Spermidine; Spermine; Structure-Activity Relationship; Time Factors; Models, Biological

The present study aims at determining the structure-activity relationships (SAR's) ruling the biological function of MGBG (methylglyoxal bis(guanylhydrazone)), a competitive inhibitor of S-adenosyl-L-methionine decarboxylase displaying anticancer activity, involved in the biosynthesis of the naturally occurring polyamines spermidine and spermine. In order to properly understand its biochemical activity, MGBG's structural preferences at physiological conditions were ascertained, by quantum mechanical (DFT) calculations.