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. 2021 Jul 5;8:637122. doi: 10.3389/fmolb.2021.637122

TABLE 2.

Docking score for the top phytoconstituents against S-ACE2 and Mpro proteins.

Compound name AutoDock (Kcal/mol) AutoDock Vina (Kcal/mol)
S-ACE2 (6M0J)
Beta-sitosterol −12.3 −11.09
Beta-elemene −9.8 −9.3
Mpro (5R82)
Beta-sitosterol −10.01 −8.9
Beta-chlorogenin −8.8 −7.1