Abstract
Using structure-based virtual screening approach, a coumarin derivative (1) was identified as beta-glucuronidase inhibitor. A focused library of coumarin derivatives was synthesized by eco-benign version of chemical reaction, and all synthetic compounds were characterized by using spectroscopy. These compounds were found to be inhibitor of beta-glucuronidase with IC50 values in a micromolar range. All synthetic compounds exhibited interesting inhibitory activity against beta-glucuronidase, however, their potency varied substantially from IC50 = 9.9-352.6 A mu M. Of twenty-one compounds, four exhibited a better inhibitory profile than the initial hit 1. Interestingly, compounds 1e, 1k, 1n and 1p exhibited more potency than the standard inhibitor with IC50 values 34.2, 21.4, 11.7, and 9.9 A mu M, respectively. We further studied their dose responses and also checked our results by using detergent Triton x-100. We found that our results are true and not affected by detergent.