Skip to main content
. 2021 Oct 19;14(10):1062. doi: 10.3390/ph14101062

Figure 11.

Figure 11

(A) Snapshots of MD simulation showing a stack of neutral ciprofloxacin entering the lipid bilayer. (B) Electrostatic potential maps at the molecular van der Waals surface in a dielectric continuum corresponding to the water phase calculated using the DFT method and chemical structure of ciprofloxacin. (C) Snapshots of MD simulation showing transmembrane arrangement of mangostin molecules and its chemical structure. A and B reproduced with permission from ref. [233]; C reproduced with permission from ref. [241].