Biological activity of antitumoural MGBG: the structural variable

被引：7
|
作者：
Marques, M. P. M. [1 ,2 ]
Gil, F. P. S. C. [2 ,3 ]
Calheiros, R. [2 ]
Battaglia, V. [4 ]
Brunati, A. M. [4 ]
Agostinelli, E. [5 ]
Toninello, A. [4 ]
机构：
[1] Univ Coimbra, Fac Sci & Technol, Dept Biochem, P-3001401 Coimbra, Portugal
[2] Univ Coimbra, Res Unit Quim Fis Mol, Coimbra, Portugal
[3] Univ Coimbra, Dept Phys, CEMDRX, Coimbra, Portugal
[4] Univ Padua, Inst Neurosci, CNR, Dept Biol Chem, Padua, Italy
[5] Univ Roma La Sapienza, Dept Biochem Sci A Rossi Fanelli, Inst Mol Biol & Pathol, Rome, Italy
来源：
AMINO ACIDS | 2008年 / 34卷 / 04期
关键词：
MGBG; SAMDC; structure-activity relationships; DFT calculations; physiological structures; mitochondrial permeability transition (MPT);
D O I：
10.1007/s00726-007-0009-2
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
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.
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页码：555 / 564
页数：10
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