Table 1.

Docking results of 18 FDA-approved drugs with ACE2 (major COVID_19 receptor), 3CLpro and PLpro (main enzymes in viral replication) and HR1(main domain in virus fusion with the host cell membrane) and TMPRSS2 (main enzyme in activation the viral spike glycoproteins) by using PyRx (PyRx 0.8) software

Proposed drugs	Complexes of SPRRARSVAS (Docking score)	Complexes of ACE2_31_41 (Docking score)	Complexes of ACE2_82_84 (Docking score)	Complexes of 3CLpro (Docking score)	Complexes of RBD (Docking score)	Complexes of HR1 (Docking score)	Complexes of PLpro (Docking score)	Complexes of TMPRRS2 (Docking score)
Glecaprevir	−10.6	−10.4	−7.6	−8.2	−8.9	−8.1	−10.2	−7.9
Simeprevir	−9.5	−9	−8.7	−8.6	−8.4	−8.6	−12	−6.8
Ledipasvir	−9.5	−9.6	−8.6	−8.4	−7.9	−9.2	−11.8	−5.3
Paritaprevir	−10.1	−11.6	−8.6	−8.7	−8.5	−8.5	−11.1	−7.3
Glycyrrhizic acid	−9.4	−8.8	−7.8	−8.8	−8.6	−7.4	−10.7	−6.6
Daclatasvir	−8.8	−8.7	−7.6	−7.3	−7.5	−8.1	−10.3	−5.2
Ombitasvir	−9.1	−8.3	−7.5	−7.1	−7	−6.7	−10.2	−6.2
TMC-310911	−9.1	−9.4	−9.2	−8.2	−6.7	−8	−10.1	−6.1
Maraviroc	−8.5	−9.6	−7.8	−7.6	−7.6	−7.9	−10	−6.5
Dasabuvir	−8.1	−8.9	−7.4	−7.3	−7.1	−8.1	−10	−6.3
Baloxavir marboxil	−8.1	−8.3	−7	−7.2	−7.3	−6.9	−9.9	−5.4
Hesperidin	−8.5	−11	−8	−8	−7.4	−8.1	−9.4	−6.1
Cobicistat	−7.7	−7.4	−8.2	−6.2	−6.4	−7.3	−9.3	−5.4
Pibrentasvir	−10.1	−10.8	−6.4	−8	−6.7	−7.5	−9.1	−6.2
Ritonavir	−7.7	−7.9	−7.2	−7.8	−6.4	−5.7	−9.1	−5.6
Lopinavir	−7.5	−7.7	−9.5	−8	−6.8	−6.6	−9	−5.6
Tannic acid	−7.6	−10.3	−8.3	−7.5	−6.4	−6	−8.4	−4.6
Rifabutin	−9.5	−10.4	−7.1	−7.2	−7.4	−7.7	−7.9	−5.8

* Bold numbers indicate the favorable binding energy of drugs with Target