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. 2020 Aug 3;886:173430. doi: 10.1016/j.ejphar.2020.173430

Table 3A.

Molecular docking data represented in terms of binding energy (ΔG) in Kcal/mole for viral target proteins with drug ligands.

Sr. No Drug Binding energy ΔG(Kcal/Mol)
6M03 6LU7 6Y84 6W4b 6VSBA 6VSBB 6VSBC 2GHV 6VXS 6W75A 6W75C 6W75B 6W75D
1 Ritonavir −7.2 −6.6 −8.7 −5.8 −6.2 −5.6 −7 −7.6 −6.3 −7.3 −7.2 −6.1 −7.3
2 Lopinavir −7.3 −5.9 −9.9 −6.4 −6.9 −6.2 −6.6 −7.1 −7.9 −6.9 −7.3 −6.5 −6.9
3 Remdesivir −7.8 −7.2 −9.4 −6.2 −6.5 −6.8 −6.2 −6.9 −6.9 −6.9 −7.6 −7 −6.9
4 Oseltamivir −6.1 −5.2 −6.6 −4.3 −5.3 −6 −5.4 −5.8 −5.7 −5.7 −6.2 −5.6 −5.7
5 Ribavirin −6 −6.3 −8.2 −5.6 −5.5 −5.5 −5.4 −6.5 −6.2 −6.6 −6.6 −5.9 −6.6
6 Mycophenolic acid −6.4 −6.4 −8 −5.3 −4.7 −4.8 −5.4 −6.6 −6.3 −6.5 −6.9 −6.3 −6.5
7 Chloroquine −6.5 −5.4 −7.8 −5.2 −4.8 −5.4 −4.8 −5.4 −6.4 −6.7 −7.1 −5.9 −6.7
8 Hydroxychloroquine −6.1 −5.6 −7.9 −5.5 −5.8 −5.6 −5.5 −5.8 −5.8 −6.5 −7 −6.4 −6.5
9 Pemirolast −7.7 −6.4 −8.2 −6.5 −6.6 −6.2 −6.3 −6.7 −7.6 −6.7 −6.9 −6.4 −6.7
10 Eriodictyol −7.4 −6.7 −8.8 −6.5 −7 −6.7 −7.6 −7.3 −7.8 −7.5 −7.5 −7 −7.5
11 Isoniazid −4.8 −4.6 −5.6 −4.4 −5 −4.4 −5 −5.1 −5 −5.2 −5.1 −4.8 −5.2