Juvenescence is impressed by Insilico Medicine’s recent article in Nature Biotech, highlighting their ability to use deep learning for de novo small-molecule design.
They have developed a deep generative 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.