Fig. 4

The results showed that four sites, THR-305, PHE-308, TYR-39 and GLU-159, had high docking activity with caffeine. The main interaction modes were Carbon-Hydrogen Bond, Fi-Fi Stacked and Fi-Alkyl.

The results showed that four sites, THR-305, PHE-308, TYR-39 and GLU-159, had high docking activity with caffeine. The main interaction modes were Carbon-Hydrogen Bond, Fi-Fi Stacked and Fi-Alkyl.