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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. © 2007 Springer-Verlag.

Biological activity of antitumoural MGBG: The structural variable / M. P. M., Marques; F. P. S. C., Gil; R., Calheiros; V., Battaglia; A. M., Brunati; Agostinelli, Enzo; A., Toninello. - In: AMINO ACIDS. - ISSN 0939-4451. - STAMPA. - 34:4(2008), pp. 555-564. [10.1007/s00726-007-0009-2]

Biological activity of antitumoural MGBG: The structural variable

AGOSTINELLI, Enzo;
2008

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. © 2007 Springer-Verlag.
2008
dft calculations; mgbg; mitochondrial permeability transition (mpt); physiological structures; samdc; structure-activity relationships
01 Pubblicazione su rivista::01a Articolo in rivista
Biological activity of antitumoural MGBG: The structural variable / M. P. M., Marques; F. P. S. C., Gil; R., Calheiros; V., Battaglia; A. M., Brunati; Agostinelli, Enzo; A., Toninello. - In: AMINO ACIDS. - ISSN 0939-4451. - STAMPA. - 34:4(2008), pp. 555-564. [10.1007/s00726-007-0009-2]
01a Articolo in rivista
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/74797
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