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Merck

[Distribution of electric charges in 2 substances inducing tumor cell regression].

Revista espanola de oncologia (1983-01-01)
Y G Smeyers, A Huertas
ABSTRACT

The charge distribution of anti-cancer molecules 4-thiazolidine-carboxylic acid and 2-amino-2-thiazoline hydrochloride was calculated with a CNDO/2 semiempiral quantum mechanic method. The activity seems to be related with the formation of Zn2+ and Mn2+ ions. Both molecules show local isosterism, origin of their chelating properties.