AI-Driven De Novo Design and Development of Nontoxic DYRK1A Inhibitors
Sign Up to like & getrecommendations! Published in 2025 at "Journal of Medicinal Chemistry"
DOI: 10.1021/acs.jmedchem.5c00512
Abstract: Dual-specificity tyrosine-phosphorylation-regulated kinase 1A (DYRK1A) is implicated in several human diseases, including DYRK1A syndrome, cancer, and neurodegenerative disorders such as Alzheimer’s disease, making it a relevant therapeutic target. In this study, we combine artificial intelligence… read more here.
Keywords: nontoxic dyrk1a; driven novo; dyrk1a inhibitors; dyrk1a ... See more keywords
Data-driven de novo design of super-adhesive hydrogels
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DOI: 10.1038/s41586-025-09269-4
Abstract: Data-driven methodologies have transformed the discovery and prediction of hard materials with well-defined atomic structures by leveraging standardized datasets, enabling accurate property predictions and facilitating efficient exploration of design spaces1, 2–3. However, their application to… read more here.
Keywords: driven novo; machine learning; data driven; adhesive hydrogels ... See more keywords