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. 2020 Aug 5:1–20. doi: 10.1080/07391102.2020.1802346

Table 3.

MM/GBSA BFE of protease inhibitors and promising drugs to interfere with SARS-CoV-2 3CLpro and RdRp activities.

3Clpro RdRp
Drug Name MM/ GBSA BFE (kcal/mol) Drug Name MM/ GBSA BFE (kcal/mol)
Tetracycline −15.19 ± 2.76 Ergotamine −24.65 ± 3.93
Dihydroergotamine −16.22 ± 5.41 Eltrombopag −35.33 ± 3.48
Dutasteride −20.47 ± 6.29 Conivaptan −23.83 ± 5.43
Nelfinavir −26.28 ± 4.48 Tipranavir −26.08 ± 3.86
Paliperidone −18.23 ± 4.17    
4F4 −16.71 ± 4.66    
4F5 −24.96 ± 3.63