Molecular Modeling of Cytokines and Their Receptors

Helical cytokines and their receptors form two recently-identified protein families of great interest. Released from activated T-cells and received by receptors upon a wide variety of immune system and other cells, the investigation of their role in cell to cell communication is a relatively new field. No existing drugs are known to interact directly with them, but their biological importance as cell growth factors makes them an obvious target for intervention, to assist in the treatment of many disorders. This work addresses the structures of some of these proteins, which have so far not been solved experimentally, and uses computer-aided molecular modeling to attempt to explain the functions of the cytokines interleukin 2 (IL2), IIA, IL13, and the related granulocyte macrophage colony stimulating factor (GM-CSF). Some predictions are made which may be tested experimentally, and which may be valuable for future structural studies. In the case of GM-CSF, one prediction has already been found to be correct. These models could also be used to assist in a drug discovery program.