2. Academic Validation
  3. Discovery of novel antiviral and antifungal agents based on flavonoid derivatives

Discovery of novel antiviral and antifungal agents based on flavonoid derivatives

  • Bioorg Chem. 2025 Dec:167:109280. doi: 10.1016/j.bioorg.2025.109280.
Peiyao Zhang 1,  Bingbing Yan 1,  Yule Liu 1,  Yuhan Gu 1,  Mingxu Han 1,  Congying Hu 1,  Qingmin Wang 2,  Ziwen Wang 3
Affiliations

Affiliations

  • 1 Tianjin Key Laboratory of Structure and Performance for Functional Molecules, College of Chemistry, Tianjin Normal University, Tianjin 300387, China.
  • 2 State Key Laboratory of Elemento-Organic Chemistry, Research Institute of Elemento-Organic Chemistry, College of Chemistry, Frontiers Science Center for New Organic Matter, Nankai University, Tianjin 300071, China.
  • 3 Tianjin Key Laboratory of Structure and Performance for Functional Molecules, College of Chemistry, Tianjin Normal University, Tianjin 300387, China. Electronic address: [email protected].
PMID: 41275770 DOI: 10.1016/j.bioorg.2025.109280
Abstract

In response to the severe threat posed by plant viral and fungicidal diseases to global agricultural production and the limitations of existing control strategies, this study aims to develop novel Antiviral and fungicidal agents. Using the natural flavonoid chrysin as a lead compound, a series of structurally novel flavonoid derivatives were designed and synthesized, and their Antiviral and Antifungal activities were systematically evaluated. Bioassay results indicated compounds 4 L (56 %), 4Y(57 %), 4AE (58 %), and 4AF (61 %) had a greater inactive effect than the positive control ningnanmycin (55 %). Mechanistic studies revealed that the highly active compound 4AF suppresses viral particle assembly by binding to the TMV-CP, inducing prominent aggregation and structural fusio. Molecular docking simulations further demonstrated that stable hydrogen bond interactions exist between this class of compounds and the TMV-CP, providing preliminary elucidation of the underlying molecular mechanism. Additionally, multiple compounds showed significant inhibition against Physalospora piricola and Rhizoctonia cerealis. Compounds 4G, 4I, 4 J, and 4 N inhibited Physalospora piricola by over 95 %, and compound 4 N inhibited Rhizoctonia cerealis by 88 %. This study advances chrysin derivatives for integrated plant disease control.

Keywords

Antiviral activity; Chrysin; Flavonoid; Fungicidal activity; Mode of action.

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