Author

Xiao-Yu Shi

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Open access Sep 2026

Molecular glues: Recent advances in cereblon substrate identification and mechanistic insights

Abstract This highlight summarizes the recent advances in cereblon (CRBN) substrate discovery and mechanisms of action within the field of molecular glues. It emphasizes that molecular glue technology has transitioned from the stage of monofunctional targeted protein degradation to that of rational design and multidime...

Qing-Yun Guan, Xiao-Yu Shi, Qian Yang et al. · Smart Molecules · 0 citations

#protein folding Sep 2026

Integrated AI-Driven Multi-Objective Optimization of Sulfamoylbenzamide-Based HBV Capsid Assembly Modulators: Discovery of 11B-6 with Superior Potency and Drug-like Properties

Current capsid assembly modulators (CAMs) require improvements in antiviral potency and drug-like properties. Herein, we report a multi-objective optimization workflow for the NVR 3-778 by integrating structure-based fragment growing with systematic medicinal chemistry optimization, activity prediction, and multitask...

Shuo Wang, Miao-Chen Xu, Fei-Yue Ma et al. · Journal of Medicinal Chemist... · 0 citations