Development of Small Molecule EPAC1 Activity Modulators

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This is a PhD Research project in chemistry. This project is part of an ongoing collaborative research effort across several groups at Heriot-Watt and other institutions. The project will involve the design and synthesis of small molecule agonists and antagonists for the cellular signaling enzyme EPAC1. Design will be carried out by generating computational models of energetically favorable docking modes of existing ligands into EPAC1 homology model crystal structures before examination of these models and identification of new target analogue structures. Synthesis will then be undertaken using a wide variety of organic synthetic chemistry techniques. Samples of new compounds will then be passed on to collaborators for evaluation of biological activity.