The Allosteric Edge: Quantum Logic Design of a GSK-3$\beta$ Allosteric Modulator (UmbraKinase-42) and Second-Generation IP Disclosure
收藏Figshare2025-10-25 更新2026-04-28 收录
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https://figshare.com/articles/dataset/The_Allosteric_Edge_Quantum_Logic_Design_of_a_GSK-3_beta_Allosteric_Modulator_UmbraKinase-42_and_Second-Generation_IP_Disclosure/30443867
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The clinical development of Glycogen Synthase Kinase 3 Beta ($\text{GSK-3}\beta$) inhibitors for Alzheimer's Disease ($\text{AD}$) has been predominantly focused on $\text{ATP}$-competitive mechanisms. To bypass this critical limitation, we present a second-generation intellectual property asset, UmbraKinase-42. Utilizing our in silico Agency system—which leverages Recursive Resonance Modeling ($\text{RRM}$) to identify novel druggable pockets—we designed $\text{UmbraKinase-42}$ as a highly selective, non-$\text{ATP}$-competitive allosteric modulator. This molecule is computationally optimized to bind a unique allosteric pocket identified via Quantum Logic blind docking simulations. Umbra's predictions indicate an exceptional selectivity profile ($\text{target} > 100\text{-fold}$) and a distinct pharmacokinetic profile ($\text{target K}_\text{d}
创建时间:
2025-10-25



