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Area of Science:

  • Biochemistry
  • Toxicology
  • Endocrinology

Background:

  • Isothiazole disinfectants are common antimicrobial preservatives in consumer products.
  • Concerns exist regarding their potential impact on human health.
  • Steroid 5α-reductase type 1 (SRD5A1) is vital for neurosteroid biosynthesis.

Purpose of the Study:

  • To investigate the inhibitory effects of seven isothiazole disinfectants on human and rat SRD5A1.
  • To elucidate the mechanism of inhibition and structure-activity relationships.
  • To assess the impact on dihydrotestosterone production in cell-based models.

Main Methods:

  • Enzyme inhibition assays using human and rat SRD5A1.
  • Enzyme kinetics and molecular docking analyses.
  • Cell-based studies in human SF126 glioblastoma cells.
  • Structure-activity relationship (SAR) and 3D-QSAR analyses.

Main Results:

  • Dichlorooctylisothiazole showed the strongest inhibition of human SRD5A1 (IC50 = 3.23 μM).
  • Inhibition occurred via mixed/noncompetitive mechanisms, binding to the NADPH pocket.
  • Compounds reduced dihydrotestosterone production in glioblastoma cells.
  • Higher LogP, molecular weight, and hydrophobicity correlated with stronger inhibition.
  • Dichlorooctylisothiazole also inhibited rat SRD5A1 (IC50 = 21.47 μM).

Conclusions:

  • Isothiazole disinfectants can act as endocrine disruptors by inhibiting SRD5A1.
  • Significant structure-activity relationships and species-dependent inhibitory effects were observed.
  • These findings warrant further investigation into the health risks associated with isothiazole exposure.