Fig. 9.

Tertiary structure analysis of drug candidates—ACE2 after MD simulation. A Tertiary structure of the free form of the ACE2. The binding site of ACE2 is depicted within the circle. B The tertiary structure of the Luteolin in complex with the ACE2. C Tertiary structure of the Chrysin in the complex with ACE2. D The tertiary structure of Ursodeoxycholic acid in complex with ACE2. E The tertiary structure of Pimozide in complex with ACE2. As shown, Luteolin and Chrysin drug candidates interact with the ACE2 binding pocket. Also, Ursodeoxycholic acid and Pimozide drug candidates still interact with the ACE2 binding pocket. The structures were created by PyMoL software