AIMC Topic: Discoidin Domain Receptor 1

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Discovery of Pyrazolo[3,4-]pyridazinone Derivatives as Selective DDR1 Inhibitors via Deep Learning Based Design, Synthesis, and Biological Evaluation.

Journal of medicinal chemistry Nov 25, 2021
Alterations of discoidin domain receptor1 (DDR1) may lead to increased production of inflammatory cytokines, making DDR1 an attractive target for inflammatory bowel disease (IBD) therapy. A scaffold-based molecular design workflow was established and...
Humans Animals Drug Design Drug Discovery Deep Learning Mice Mice, Inbred C57BL Drug Screening Assays, Antitumor Molecular Structure Mice, Inbred ICR Anti-Inflammatory Agents Protein Kinase Inhibitors Pyridazines Dextran Sulfate Colitis Discoidin Domain Receptor 1 Pyrazolones
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Deep learning enables rapid identification of potent DDR1 kinase inhibitors.

Nature biotechnology Sep 2, 2019
We have developed a deep generative model, generative tensorial reinforcement learning (GENTRL), for de novo small-molecule design. GENTRL optimizes synthetic feasibility, novelty, and biological activity. We used GENTRL to discover potent inhibitors...
Humans Animals Deep Learning Mice Rats Models, Molecular Molecular Structure Dogs Drug Evaluation, Preclinical Microsomes, Liver Enzyme Inhibitors Protein Conformation Discoidin Domain Receptor 1
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