The [M(CN)(x)NOy](n-) complexes (where M = Cr(I), Mn(I), Mn(II), Fe(I)
, Fe(II), Fe(III)) were studied as potential NO-donors using both phar
macological and theoretical semi-empirical methods. Only iron complexe
s appeared to be pharmacologically active. The quantum chemical calcul
ations indicated that these complexes have the highest predisposition
to undergo a nucleophilic attack followed by the NO+ release. The resu
lts allowed us to interpret the metabolism of the [M(CN)(x)NOy](n-) co
mplexes in terms of the NO+-donation. (C) 1998 Elsevier Science Inc. A
ll rights reserved.