Nature Biotech: ‘Deep learning enables rapid identification of potent DDR1 kinase inhibitors’
Insilico Medicine, Inc., a Juvenescence partner, recently highlighted their ability to use deep learning for de novo small-molecule design in Nature Biotech.
They have developed a deep model, generative tensorial reinforcement learning (GENTRL) to discover potent inhibitors of discoidin domain receptor 1 (DDR1), a kinase target implicated in fibrosis and other diseases, in 21 days.
Four compounds were active in biochemical assays, and two were validated in cell-based assays. One lead candidate was tested and demonstrated favorable pharmacokinetics in mice. They were able to design, synthesise and validate the new drug in 46 days.
Read the press release at Business Wire.
View the full peer-reviewed scientific paper at Nature Biotech.