[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.
D000438:Alcohols / Q000494:pharmacology; D000588:Amines / Q000494:pharmacology; D001419:Bacteria / Q000201:enzymology*; D003959:Diamines / Q000494:pharmacology; D007700:Kinetics; D008024:Ligands; D011485:Protein Binding; D012997:Solvents; D013329:Structure-Activity Relationship; D014512:Ureohydrolases / Q000037:antagonists & inhibitors*; D014867:Water
D000438:Alcohols; D000588:Amines; D003959:Diamines; D008024:Ligands; D012997:Solvents; D014867:Water; D014512:Ureohydrolases; C019625:agmatinase
O korreliatsii mezhdu konstantoĭ raspredeleniia i konstantoĭ tormozheniia u ingibitorov bakterial'noĭ agmatinazy.