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[Distribution of electric charges in 2 substances inducing tumor cell regression]
1Laboratorio de Química Cuántica, Instituto de Estructura de la Materia, Madrid.
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.