Discovery of new fungal jumonji H3K27 demethylase inhibitors for the treatment of Cryptococcus neoformans and Candida auris infections

Eur J Med Chem. 2025 Jan 5:281:117028. doi: 10.1016/j.ejmech.2024.117028. Epub 2024 Nov 6.

Abstract

Invasive fungal infections have become a serious public health problem. To tackle the challenges of limited efficacy in antifungal therapy and severe drug resistance, antifungal drugs with new mechanisms of action are urgently needed. Our previous study identified JIB-04 to be an inhibitor of fungal histone demethylase (HDM). To promote target validation and inhibitor design, herein a series of new JIB-04 derivatives were designed and synthesized. After the establishment of structure-activity relationship, compound A4 was identified to possess potent antifungal activity against Cryptococcus neoformans and Candida auris. Compared to lead compound JIB-04, compound A4 was a more potent HDM inhibitor and exhibited better water solubility, virulence factors inhibitory activity and in vivo antifungal potency. Collectively, this study further confirmed that fungal HDMs were potential antifungal targets and compound A4 was a promising antifungal lead compound.

Keywords: Antifungal agent; Candida auris; Cryptococcus neoformans; HDM inhibitors; JIB-04; Structural optimization; Virulence factor.

MeSH terms

  • Animals
  • Antifungal Agents* / chemical synthesis
  • Antifungal Agents* / chemistry
  • Antifungal Agents* / pharmacology
  • Candida auris* / drug effects
  • Candidiasis / drug therapy
  • Cryptococcosis / drug therapy
  • Cryptococcosis / microbiology
  • Cryptococcus neoformans* / drug effects
  • Dose-Response Relationship, Drug
  • Drug Discovery
  • Enzyme Inhibitors / chemical synthesis
  • Enzyme Inhibitors / chemistry
  • Enzyme Inhibitors / pharmacology
  • Humans
  • Jumonji Domain-Containing Histone Demethylases / antagonists & inhibitors
  • Jumonji Domain-Containing Histone Demethylases / metabolism
  • Mice
  • Microbial Sensitivity Tests*
  • Molecular Structure
  • Structure-Activity Relationship

Substances

  • Antifungal Agents
  • Enzyme Inhibitors
  • Jumonji Domain-Containing Histone Demethylases