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Author

Xinyong Liu

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Review Open access Sep 2026

The substrate envelope strategy: Structural basis for resistance mitigation in antiviral drug design

Drug resistance remains a major hurdle in antiviral drug development. This review highlights the “substrate envelope hypothesis”, a structure-based drug design (SBDD) paradigm that constrains the spatial boundaries and binding footprint of inhibitors within the conserved active site volume defined by natural viral subs...

Qiao-Ji Xu, Ji-Wei Zhang, Yan-Xu Hou et al. · 0 citations
Editorial Open access Jul 2026

Novel Mechanisms of SARS-CoV-2 Drug Resistance and Rational Design of Anti-Resistant Antivirals

Three effective countermeasures have been established: structure-based optimization of Mpro inhibitors, rational design of ExoN-evading nucleoside analogues, and synergistic combination therapies to combat emerging resistant SARS-CoV-2 variants.

Xianghan Bai, Bing Ye, Sheng-Hua Gao et al. · 0 citations
Aug 2026

Discovery of piperazine-based multi-site occupying coronavirus Mpro inhibitors with potent and broad-spectrum antiviral activity.

The continuous evolution of SARS-CoV-2 and the emergence of drug-resistant variants underscore the urgent need for broad-spectrum antiviral agents targeting conserved viral proteins. The main protease (Mpro) represents a promising target due to its essential role in coronavirus replication. In this study, we report the...

Bing Ye, M. Lee, Letian Song 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
Review Jul 2026

Research Progress and Challenges of Anti-monkeypox Virus Drugs Targeting F13 Protein.

Future paradigms must break away from standalone F13 monotherapy and transition toward combination regimens, such as pairing F13 blockers with host-targeting entry/uncoating inhibitors─or developing multitarget inhibitors that interrupt the viral life cycle prior to IMV maturation by targeting DNA polymerase or transcr...

Le Wang, Tao Zhang, Jie Guo et al. · 1 citation
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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