Structure and inhibition of Cryptococcus neoformans sterylglucosidase to develop antifungal agents

Nat Commun. 2021 Oct 7;12(1):5885. doi: 10.1038/s41467-021-26163-5.

Abstract

Pathogenic fungi exhibit a heavy burden on medical care and new therapies are needed. Here, we develop the fungal specific enzyme sterylglucosidase 1 (Sgl1) as a therapeutic target. Sgl1 converts the immunomodulatory glycolipid ergosterol 3β-D-glucoside to ergosterol and glucose. Previously, we found that genetic deletion of Sgl1 in the pathogenic fungus Cryptococcus neoformans (Cn) results in ergosterol 3β-D-glucoside accumulation, renders Cn non-pathogenic, and immunizes mice against secondary infections by wild-type Cn, even in condition of CD4+ T cell deficiency. Here, we disclose two distinct chemical classes that inhibit Sgl1 function in vitro and in Cn cells. Pharmacological inhibition of Sgl1 phenocopies a growth defect of the Cn Δsgl1 mutant and prevents dissemination of wild-type Cn to the brain in a mouse model of infection. Crystal structures of Sgl1 alone and with inhibitors explain Sgl1's substrate specificity and enable the rational design of antifungal agents targeting Sgl1.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Animals
  • Antifungal Agents / chemistry*
  • Antifungal Agents / pharmacology*
  • CD4-Positive T-Lymphocytes
  • Catalytic Domain
  • Cryptococcosis
  • Cryptococcus neoformans / drug effects*
  • Cryptococcus neoformans / genetics
  • Crystallography, X-Ray
  • Disease Models, Animal
  • Drug Discovery
  • Ergosterol
  • Female
  • Fungal Proteins / chemistry*
  • Fungal Proteins / drug effects*
  • Fungal Proteins / genetics
  • Glucosidases / chemistry
  • Glucosidases / drug effects
  • Glucosidases / genetics
  • High-Throughput Screening Assays
  • Mice
  • Models, Molecular
  • Molecular Docking Simulation

Substances

  • Antifungal Agents
  • Fungal Proteins
  • Glucosidases
  • Ergosterol