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. 2021 Jan 21;11:2043. doi: 10.1038/s41598-021-81462-7

Table 1.

Protein–protein interaction depicting 5 lowest binding energy for S Protein–ACE2 complex in the presence or absence of curcumin and catechin.

Macromolecule Binding positions Lowest energy (kJ/mol) Average lowest energy (kJ/mol)
S Protein–ACE2 1  − 928.9  − 901.2
S Protein–ACE2 2  − 923
S Protein–ACE2 3  − 902.4
S Protein–ACE2 4  − 853.3
S Protein–ACE2 5  − 898.4
S Protein with curcumin–ACE2 1  − 799.2  − 759.54
S Protein with curcumin–ACE2 2  − 744
S Protein with curcumin–ACE2 3  − 759
S Protein with curcumin–ACE2 4  − 755
S Protein with curcumin–ACE2 5  − 740.5
S Protein with catechin–ACE2 1  − 799.2  − 759.54
S Protein with catechin–ACE2 2  − 744
S Protein with catechin–ACE2 3  − 759
S Protein with catechin–ACE2 4  − 755
S Protein with catechin–ACE2 5  − 740.5