Fig. 1.
Variability in the geometric mean of in-silico-to-observed fu ratios for high binding (low fu, denoted by experimental fu ≤ 20%), moderate binding (moderate fu, denoted by 20% < experimental fu < 80%), and low binding (high fu, denoted by experimental fu ≥ 80%) natural product constituents in human liver microsomes and plasma. Error bars denote 90% confidence intervals. Closed diamonds denote values generated by GastroPlus, whereas open diamonds denote values generated by Simcyp. Natural product constituents evaluated are 4-methylumbelliferone, 7-hydroxymitragynine, berberine, bergamottin, hydrastine, hydrastinine, isosilybin A, isosilybin B, isosilychristin, mitraciliatine, mitragynine, paynantheine, silybin A, silybin B, silychristin, silydianin, and speciogynine.