Virtual Screening for the Discovery of Microbiome Beta-Glucuronidase Inhibitors to Alleviate Cancer Drug Toxicity

The study focused on identifying inhibitors of β-glucuronidase (βGUS) enzymes, which are produced by gut bacteria and can reactivate cancer drugs, leading to side effects such as hair loss and nausea. Researchers employed virtual high-throughput screening (vHTS) to assess nearly 400,000 compounds, ultimately identifying 69 compounds with inhibitory activity against βGUS. The approach demonstrated a hit rate of 24%, indicating potential for developing treatments that could reduce the adverse effects of anti-cancer drugs by targeting the human microbiome.