Figure 7.

Simulated 3D model of the cholesterol-incorporated nano-phytosome bilayer docked with main phytochemicals of SI (caffeine and 5-caffeoylquinic acid). The lipid bilayer appears spherical (see also Figure 4). (a,b) show an overlap of the compound’s interaction with the lipid bilayer. (c) Caffeine (purine alkaloid); adjusted near a polar size with minimum rate of hydrogen binding. (d) 5-Caffeoylquinic acid; the majority of hydrogen binding occurred due to both caffeic aldehyde and quinic acid moieties.