Structure-Activity Relationship Studies in Benzothiadiazoles as Novel Vaccine Adjuvants

J Med Chem. 2024 Aug 22;67(16):13703-13722. doi: 10.1021/acs.jmedchem.4c00491. Epub 2024 Aug 8.

Abstract

Extracellular vesicles (EVs) can transfer antigens and immunomodulatory molecules, and such EVs released by antigen-presenting cells equipped with immunostimulatory functions have been utilized for vaccine formulations. A prior high-throughput screening campaign led to the identification of compound 634 (1), which enhanced EV release and increased intracellular Ca2+ influx. Here, we performed systematic structure-activity relationship (SAR) studies to investigate the scaffold for its potency as a vaccine adjuvant. Synthesized compounds were analyzed in vitro for CD63 reporter activity (a marker for EV biogenesis) in human THP-1 cells, induction of Ca2+ influx, IL-12 production, and cell viability in murine bone-marrow-derived dendritic cells. The SAR studies indicated that the ester functional group was requisite, and the sulfur atom of the benzothiadiazole ring replaced with a higher selenium atom (9f) or a bioisosteric ethenyl group (9h) retained potency. Proof-of-concept vaccination studies validated the potency of the selected compounds as novel vaccine adjuvants.

MeSH terms

  • Adjuvants, Immunologic* / chemical synthesis
  • Adjuvants, Immunologic* / chemistry
  • Adjuvants, Immunologic* / pharmacology
  • Animals
  • Dendritic Cells / drug effects
  • Dendritic Cells / immunology
  • Dendritic Cells / metabolism
  • Extracellular Vesicles / chemistry
  • Extracellular Vesicles / immunology
  • Extracellular Vesicles / metabolism
  • Female
  • Humans
  • Mice
  • Mice, Inbred C57BL
  • Structure-Activity Relationship
  • THP-1 Cells
  • Thiadiazoles* / chemical synthesis
  • Thiadiazoles* / chemistry
  • Thiadiazoles* / pharmacology
  • Vaccines / chemistry
  • Vaccines / immunology

Substances

  • Adjuvants, Immunologic
  • Thiadiazoles
  • benzo-1,2,3-thiadiazole
  • Vaccines