A computer analysis of drug-protein binding data

✍ Scribed by Samuel Garten; Walter D. Wosilait

• Publisher: Elsevier Science
• Year: 1971
• Weight: 468 KB
• Volume: 1
• Category: Article
• ISSN: 0010-468X
• DOI: 10.1016/0010-468x(71)90020-1

✦ Synopsis

This paper describes a computer program for analyzing drug binding data when more than one set of sites on *he macromolecule are involved in the interaction. The mainline calculates the concentrations of i:nbound and bouna ligand from absorbance values obtained in equilibrium dialysis experiments. The analysis and program are based on the assumption that two sets of sites are involved in the binding process. Subroutine GAR computes the association constants and binding capacities for each set of sites. The values are used to calculate the amount of ligand bound to each of the sites. These values are then used to calculate the concentration of the unbound ligand which can be compared with the experimental value. The amounts of unbound and bound ligand are added together at each concentration and compared with the experimental values as a check. Subroutine TEN computes dissociation constants and binding capacities, providing a ch.'ck on the association constants and binding capacities obtained in GAR.

Drug-protein binding

Association constants Dissociation constants Binding capacities