Virtual Screening for the Discovery of Microbiome Beta-Glucuronidase Inhibitors to Alleviate Cancer Drug Toxicity
March 2022
in “
Journal of Chemical Information and Modeling
”
Studysummary This study identified a series of novel β-glucuronidase inhibitors that may help mitigate adverse effects of first-line anti-cancer drugs by targeting gut bacteria, based on virtual high-throughput screening findings.
Our plain-language summary. Not medical advice or a treatment recommendation. Consult a qualified healthcare professional before changing treatment. Full disclaimer
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.
