Structural optimization of <scp>SDH</scp>‐targeting chalcone derivatives: piperazine‐driven binding stability against <scp><i>Xanthomonas</i></scp> pathogens
The 1,2,3,4-tetrahydroquinoline moiety enhanced SDH binding affinity, while the introduced piperazine substructure in H6 improved both complex stability (root mean square deviation <1.5 Å) and target engagement. These findings establish H6 as a promising lead compound for developing next-generation SDH inhibitors, providing critical insights into structure-activity relationships for agricultural antimicrobial design. © 2025 Society of Chemical Industry.
Authors
- Da Liu (ORCID: https://orcid.org/0000-0003-0024-6329)
- Minghui Sun (ORCID: https://orcid.org/0000-0002-7249-0243)
- Hong Fu (ORCID: https://orcid.org/0000-0003-2246-7552)
- Ying Yang (ORCID: https://orcid.org/0000-0002-5787-3158)
- Yuhong Wang (ORCID: https://orcid.org/0009-0006-7260-1472)
- Tianyu Deng (ORCID: https://orcid.org/0000-0002-1045-5020)
- Kaini Meng
- Ligang Xing (ORCID: https://orcid.org/0000-0002-9146-3048)
- Xian‐Bin Yu
- Wei Xue
- Hongqian Zou
Institutions
- Huaihua University (CN)
- Guizhou University (CN)
- First Data (United States) (US)
Publication Details
- Journal
- Pest Management Science
- Published
- 2025-05-29
- DOI
- https://doi.org/10.1002/ps.8934
- Citations
- 3
- Primary Topic
- Plant Pathogenic Bacteria Studies
- Type
- article
- Field-Weighted Citation Impact
- 5.25