Fig. 5.

Secondary structure analysis plot during 120 ns of the simulation. A The free form of the ACE2. B Luteolin-ACE2 complex. C Chrysin-ACE2 complex. D Pimozide-ACE2 complex. E Ursodeoxycholic acid-ACE2 complex. Data showed all compounds caused no changes in the ACE2 structure during the simulation and no drastic change in the secondary structure was observed during the simulation except for Pimozide which increases the alpha-helix structure around 200-250 region compared to free ACE2. Luteolin and Chrysin caused more stable structures