Modeling and Simulation Approaches Provide Insight into Herbal Supplement Safety

Scientists at Washington State University and the University of North Carolina at Greensboro used Certara’s Phoenix WinNonlin and Simcyp Simulator to evaluate a previously unexplored herb- drug interaction mechanism.

Modeling and simulation technology, including physiologically-based pharmacokinetic (PBPK) modeling, is increasingly being leveraged to better understand herb-drug interactions. To test a proof-of-concept clinical study, a Simcyp PBPK model was built based on a virtual cohort of 16 healthy patients, aged 18 to 65 years, with raloxifene (60 mg) and silibinin (480 mg three times daily) administered in the fasted state. Pharmacokinetic outcomes were recovered by non-compartmental analysis using Phoenix WinNonlin.