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. 2020 Dec 11;25:100847. doi: 10.1016/j.bbrep.2020.100847

Table 2.

Binding energies of drugs using PyRx docking software.

NSPs Drug_ID DB00150 DB01977 DB02441 DB03225 DB03314 DB07132 DB07535 DB08136 DB08466 DB12291
NSP 3 Binding energy in Kcal/mol of 6wuu −6.4 −8.4 −7.3 −6.3 −6.7 −8.3 −8.2 −7.6 −7.1 −7.5
NSP 5 Binding energy in Kcal/mol of 6wuu −7.3 −9.2 −6.6 −7.3 −7.2 −9 −8.2 −7.7 −7.2 −8.4
Binding energy in Kcal/mol of 6wuu −7.1 −8.2 −6.9 −7 −6.7 −7.5 −8.6 −7.7 −7.2 −7.4
NSP 10 Binding energy in Kcal/mol of 6wuu −6.1 −7.1 −6 −6.1 −7 −7.2 −6.9 −6.5 −6.3
NSP 11 Binding energy in Kcal/mol of 6wuu −6 −7.7 −7 −6.1 −6.3 −7.3 −7.5 −7.2 −6.2 −6.9
Binding energy in Kcal/mol of 6wuu −6.8 −8 −6.7 −6.8 −6.6 −7.3 −7.5 −7.3 −7 −7.2
NSP 14 Binding energy in Kcal/mol of 6wuu −7 −8.8 −6.9 −7 −7.2 −8 −8.6 −7.9 −7.2 −7.8
Binding energy in Kcal/mol of 6wuu −7.2 −8.1 −7.2 −7.6 −7.6 −7.1 −8 −7.1 −7 −8.3
Binding energy in Kcal/mol of 6wuu −7.1 −8.1 −7.3 −7.1 −7.3 −7.8 −8.2 −7.8 −7 −8.2
Binding energy in Kcal/mol of 6wuu −7 −7.8 −6.9 −7.1 −7.1 −7.8 −7.3 −7.2 −6.9 −7.9
Binding energy in Kcal/mol of 6wuu −7.1 −7.8 −6.9 −7.1 −7.2 −8.2 −7.6 −7.3 −7.2 −7.7
Binding energy in Kcal/mol of 6wuu −7.4 −8.1 −6.9 −7.3 −7.5 −7.9 −7.8 −7.2 −7.5 −7.8
Binding energy in Kcal/mol of 6wuu −7.2 −7.9 −7 −7.2 −7.4 −8.4 −7.9 −7.4 −7.4 −7.8
Binding energy in Kcal/mol of 6wuu −7.1 −7.9 −6.9 −7.1 −7.3 −8 −7.8 −7.3 −7.3 −7.8
Binding energy in Kcal/mol of 6wuu −7.1 −7.9 −7 −7.1 −7.3 −8.1 −7.8 −7.2 −7.3 −7.8
NSP 15 Binding energy in Kcal/mol of 6wuu −6.7 −8.2 −6.6 −6.7 −7.1 −8 −8.3 −7.6 −6.9 −7.6
Binding energy in Kcal/mol of 6wuu −7 −8.3 −6.6 −7 −6.9 −7.4 −8.2 −7.5 −7.1 −7.5
Binding energy in Kcal/mol of 6wuu −6.9 −7.5 −6.6 −6.9 −7 −8.5 −7.9 −7 −6.9 −6.8

Note: The binding energy given above are for the poses with RMSD = 0.