[Correlation between the distribution and inhibition constants of bacterial agmatinase inhibitors].

A correlation between the distribution of chemical compounds in the water-non-polar solvent system and their inhibiting effect on bacterial agmatinase has been established. The correlation equation appears as lg(1/Ki)=algp0+C. The value of C is constant for homologous inhibitors but shows considerable variations upon a transition from the homologous row of alcohols to monoamines, diamines and guanidine alcanes. It is assumed that the value of C reflects the electrostatic interactions between the enzyme and ligand. Alternatively this value can be regarded as a factor of the ligand fitness into the enzyme active center. The correlation equations obtained for different homologous sequences allow to predict the inhibiting effect of still unknown homologues.