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Author

Shu-Jing Xu

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Review Sep 2026

Structure-guided discovery of HIV-1 capsid inhibitors: From diverse binding sites to resistance-resilient antiviral strategies.

This review covers 2020-2026 advances in CA-targeted drug discovery: high-resolution CA structures; allosteric regulation by host metabolite IP6; medicinal chemistry optimization of PF74 derivatives via scaffold hopping and conformational restriction to enhance potency and metabolic stability; the development and clini...

Yu-Ya Li, Mei Wang, Lin Sun et al. · 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. · 0 citations
Jul 2026

Targeted Degradation of Capsid by Host-Hijacking PROTAC Overcomes Drug Resistance.

This work pioneers the development of CA-targeted degraders, providing a framework for next-generation anti-HIV therapies with high potency and resistance barriers, via a proteasome-driven pathway.

Mei Wang, Ze-Yu Peng, Yang Zhou et al. · 0 citations

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