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High-Throughput Discovery of Inhibitors Targeting Monkeypox Virus H1 Phosphatase
Chengcheng Tao1, Mailikezhati Alifu1, Haojun Huang1,2
1College of Pharmacy, Chongqing Medical University, Chongqing 400016, China.
Viruses
|November 27, 2025
Summary
Researchers identified new potential treatments for Mpox (monkeypox virus) by targeting the virus's H1 protein. This discovery offers a promising foundation for developing novel antiviral therapies against this global health threat.
Area of Science:
- Virology
- Biochemistry
- Drug Discovery
Background:
- Mpox (monkeypox virus) is a significant global health concern with limited treatment options.
- The MPXV H1 protein is crucial for viral replication and represents a promising antiviral target.
Purpose of the Study:
- To develop a high-throughput assay for discovering MPXV H1 inhibitors.
- To identify potent inhibitors of MPXV H1 for potential antiviral drug development.
Main Methods:
- Developed a high-throughput enzymatic assay using p-nitrophenyl phosphate.
- Validated key structural features (N-terminal helix α1, Cys110) of MPXV H1 for drug design.
- Screened for inhibitors and used molecular docking to analyze binding interactions.
Main Results:
- Identified 17 potent MPXV H1 inhibitors with nanomolar IC50 values and low cytotoxicity.
- Confirmed the essential role of the N-terminal helix α1 and Cys110 in enzymatic activity.
- Molecular docking revealed inhibitors bind to the active site, blocking substrate access.
Conclusions:
- This study successfully identified potent MPXV H1 inhibitors.
- These findings provide a strong basis for developing new antiviral drugs against Mpox infections.
