Disease Type: Alzheimer's
Bryostatin is a marine natural product that shows promising and unique activity against several diseases (most notably, cancer, HIV/AIDS, and Alzheimer's). Its main target, protein kinase C (PKC), is a signaling protein central to many cellular functions. In its active form, PKC binds its ligand and is associated with the membrane, but we currently lack structural information about this complex in its membrane microenvironment. The simulations performed on FAH will help to provide a structure to the PKC-ligand-membrane complex. The structure and dynamics of this complex would allow us to understand bryostatin's binding mode and thus how to modify and tune its structure to improve function or even create new functions as needed for new therapies in the clinic.
This project is managed by Steven Ryckbosch at .
Steven Ryckbosch is a graduate student in the Pande lab. His research focuses on the modeling of small molecules in their protein binding pockets, ultimately looking towards drug discovery and design. He's also very interested in membrane-protein systems, and how these complexes can behave differently from simple protein-ligand complexes and influence the efficacy of drug binding.
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