A GRAPHICAL ENVIRONMENT FOR A COMPUTERIZED METABOLIC MAP

We are developing a computer representation of pathways of intermediary metabolism in cells. We have established a database of enzymes and associated information including reactants, cofactors, and subcellular reactant space. This information is maintained under dBASE, to which we have recently added a related database of enzyme inhibitors. The original programs were coded in dBASE III₊. We have now developed a graphical user interface using MS-Windows and ‘C’ to traverse the metabolic network. The structural formulae of pathway substrates and of inhibitors is now displayed in a window, and associated information is displayed in other windows in the program. It is now possible to step through pathways, store trip logs, bring up ancillary information on each step, and maintain a ‘scratch pad’. We have also formulated a simple method to handle the myriad of cell types present in the biological kingdom: a single field database consisting of only the key field of the main database (Enzyme Commission number) serves as a mask to create a subset database. Future development includes more complete population of the databases, new cross search features for the information, and new graphical representations of layers of the metabolic pathways. The database representation will also be used as the underlying structure of quantitative metabolic models.