Title: Biological activity of antitumoural MGBG: the structural variable
Authors: Marques, M. P. M. 
Gil, F. P. S. C. 
Calheiros, R. 
Battaglia, V. 
Brunati, A. M. 
Agostinelli, E. 
Toninello, A. 
Keywords: 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
Issue Date: 2007
Abstract: 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.
URI: http://hdl.handle.net/10316/45120
Other Identifiers: 10.1007/s00726-007-0009-2
DOI: 10.1007/s00726-007-0009-2
Rights: openAccess
Appears in Collections:I&D QFM-UC - Artigos em Revistas Internacionais
FCTUC Ciências da Vida - Artigos em Revistas Internacionais

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