Goal: Use AI-driven drug discovery tools to identify potential binders to the DNAJ-PKAc fusion protein
Principal investiogator: Hannes Nissen-Meyer
Grant length: One year
Study overview: Khumbu proposes to support FLC drug discovery efforts by applying its AI- and quantum mechanics-driven computational platform to identify and optimize small-molecule inhibitors of the DNAJ-PKAc fusion protein, the known driver of the disease.
Using AI-based protein analysis, Khumbu will first identify potential binding pockets on the fusion protein, including previously unknown sites, and then computationally screen molecules to determine which compounds are most likely to bind each pocket.
If successful, the project could provide information about prioritized binding sites, potential binders, and selectivity data that could accelerate the development of a targeted therapy for FLC.