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Gout management: Patent analytics and computational drug design explores URAT1 inhibitors landscape

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  • Jiaxin Zhang
  • Liang Hong
  • Wenfei Xu
  • Xin Zhang
  • Huina Fu
  • Xinan Song
  • Jing Zhao

Abstract

Gout, caused by hyperuricemia, has a detrimental impact on patients’quality of life. The urate transporter 1 (URAT1) stands out as a key therapeutic target. However, its clinical development remains uncertain. This study aims to explore the landscape of URAT1 inhibitors by combining global patent analytics with computational drug design. We utilized the Derwent Innovation platform to analyze patents (from 2005 to 2024). Molecular docking was performed on 73.96% of novel compounds using AutoDock Vina. Additionally, scaffold diversity was analyzed using the Bemis-Murcko (BM) scaffold approach. A total of 2,195 entries were screened and eventually narrowed down to 1,056 high-value entries. The global research on URAT1 inhibitors is highly active, with China, the US, Japan, and Europe leading. Most patents are new compounds, indicating significant potential for novel drug development. Molecular docking showed ideal binding affinities for most compounds. The top five BM scaffolds were identified and compared with marketed drugs. This study highlights the potential for developing new URAT1 inhibitors. The identified compounds and scaffolds offer promising starting points for further drug development. Future work should focus on experimental validation and exploring clinical potential.

Suggested Citation

  • Jiaxin Zhang & Liang Hong & Wenfei Xu & Xin Zhang & Huina Fu & Xinan Song & Jing Zhao, 2025. "Gout management: Patent analytics and computational drug design explores URAT1 inhibitors landscape," PLOS ONE, Public Library of Science, vol. 20(8), pages 1-21, August.
    • Handle: RePEc:plo:pone00:0328559
    DOI: 10.1371/journal.pone.0328559
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