Improved Inhibitor Screening Experiments by Comparative Analysis of Simulated Enzyme Progress Curves
Figure 5
Screen dump of a subsection of the simulation tool.
The tool contains three blocks (one for competitive, one for uncompetitive, and one for mixed inhibition; non-competitive inhibition is achieved by setting the two Ki values for mixed inhibition to equal values) in which the reaction parameters and variables can be set. The block for mixed inhibition is shown. Adjustable values are shown in red and are found in the second row of each block. The identities of the adjustable values are shown in the top row. The resulting IC50 value and overall equilibrium constant of the reversible reaction are also shown in the top row. A table presents the time point of Δmax[P] and the associated key data that result from adjustment of reaction conditions. To deduce the corresponding data at other time points, the desired values can be entered into cells of the top row of the table. In the simulation tool, changes of reaction conditions are also visualized in various graphs.