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L. Bassit

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#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
Open access Jul 2026

The 5′-Isobutyryl Ester Prodrug of 4′-Thiouridine Inhibits SARS-CoV‑2 Replication in Culture and in a Syrian Hamster Infection Model

Although the SARS-CoV-2 pandemic is now largely controlled through widespread vaccination and available therapeutics, emerging variants could undermine their overall effectiveness. 4′-Thiouridine (TU) and its 5′-isobutyryl prodrug (iBu TU) were identified as potent inhibitors of SARS-CoV-2 replication across various ce...

Zhe Chen, F. Amblard, M. Kasthuri et al. · 0 citations

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