fig3
![<i>Bulbine frutescens</i> phytochemicals as novel ABC-transporter inhibitor: a molecular docking and molecular dynamics simulation study](https://image.oaes.cc/05a5bf19-7adc-40dc-8589-91dd5f39b27c/3854.fig.3.jpg)
Figure 3. The MM-GBSA analysis and predicted IC50 of B. frutescens phytochemicals: (A) MM-GBSA analysis of unbound ABC transporter and lead phytochemical 4’-Demethylknipholone 2’-β-D-glucopyranoside-ABC transporter complex; and (B) regression analysis for the prediction of IC50 value of B. frutescens identified phytochemicals against P-glycoprotein. MM-GBSA: Molecular Mechanics/Generalized Born Model and Solvent Accessibility; ABC transporter: ATP-binding cassette transporter; pIC50: Prediction of inhibitory concentration; B. frutescens: Bulbine frutescens