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. 2021 Jun 28;321(2):E246–E251. doi: 10.1152/ajpendo.00174.2021

Table 1.

Binding affinities to the SARS-CoV-2 Mpro in comparison with danoprevir, lopinavir, and ritonavir

No. Name of the Ligand Binding Free Energy (kcal/mol)
1 24(OH)L3 −8.3
2 25(OH)L3 −8.0
3 20S(OH)7DHC −8.0
4 22R(OH)7DHC −7.8
5 20S(OH)L3 −7.8
6 25(OH)7DHC −7.7
7 1,25(OH)2D3 −7.6
8 20S(OH)D3 −7.6
9 7-DHP −7.5
10 25(OH)D3 −7.3
11 Danoprevir −8.5
12 Lopinavir −8.3
13 Ritonavir −7.2