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. 2021 Mar 31;11:7307. doi: 10.1038/s41598-021-86712-2

Table 1.

Binding Energy of top ten ligands to the respective protein.

S. no Drugs BE (Kcal/mol) (ACE-2) Drugs BE (Kcal/mol) (TMPRSS2) Drugs BE (Kcal/mol)(RdRP)
1 Paritaprevir  − 7.5 Paritaprevir  − 12.18 Paritaprevir  − 9.59
2 Rilpivirine  − 7.42 Asunaprevir  − 10.55 Grazoprevir  − 8.99
3 Saquinavir  − 7.24 Grazoprevir  − 10.15 Rilpivirine  − 8.16
4 Doravirine  − 6.96 Nelfinavir  − 8.94 Tipranavir  − 8.14
5 Pleconaril  − 6.5 Delavirdine  − 8.72 Rimantadine  − 7.73
6 Grazoprevir  − 6.32 Etravirine  − 8.18 Delavirdine  − 7.66
7 Efavirenz  − 6.3 Saquinavir  − 8.15 Asunaprevir  − 7.35
8 Tipranavir  − 6.22 Indinavir  − 8.05 Etravirine  − 7.12
9 Asunaprevir  − 6.18 Amprenavir  − 8.03 Pleconaril  − 7.01
10 Delavirdine  − 6.17 Boceprevir  − 7.68 Boceprevir  − 6.88