Most enzyme mimic studies are motivated by a combination of factors, including factors that are unrelated to the enzyme. Several of the factors that are related to the enzyme are listed below.
Defining the active site structure. A number of important active sites are still poorly defined. This includes the oxygen evolving complex and nitrogenase. In an effort to understand these enzymes, small molecule analogs are created and compared to the data which exists for the proteins.
Understanding the active site function. The structure of some enzymes are very well characterized, however, the function of some component of the active site is poorly understood. This is often investigated through site-directed mutagenesis. In addition, the synthesis of a model complex can suggest the function of various components.
Reproducing the enzymes function. A number of enzymes are an interest since they catalyze a reaction chemist find challenging. These reactions include the partial oxidation of a hydrocarbon by methane monooxygenase (MMO) or the oxidation and production of hydrogen by hydrogenase. "Functional" enzyme mimics or bioinspired catalysts are designed with characteristics of the enzyme in hopes of reproducing the enzymes functionality.