Our MAGNET platform overcomes current limitations of small molecule drug discovery. The integration of high-performance structural biology and compound libraries with computational chemistry capabilities identifies novel molecules and druggable binding pockets for difficult targets.Â
Our approach unlocks chemical matter by generating experimental binding events using the proprietary SmartSoak® technology by X-ray crystallography. The resulting structural data is utilized as a blueprint to explore chemical spaces and multiple modalities on scale.
Following the principles of fragment-based drug discovery, the number of compounds required for an initial screening is significantly lower compared to industry standards. The sampling of the chemical space is more efficient and provides medicinal chemistry with highly valuable structural data and molecular interactions enabling structure-based drug design from the beginning.Â
The structure-first approach enables a virtual screening of billions of chemicals in libraries. The result is a prioritized list of small molecules with a high likelihood of the desired binding event. Wet-lab testing is focused on a small number of compounds, lowering the cost and time associated with identifying possible hits, optimizing promising chemical matter, and increasing overall efficiency.