Table 1.

Binding energy in kcal/mol for the top hit compounds along with the reference compounds against each protein target of SARS-CoV-2.

Sl. No.	Compound name	Binding energy (kcal/mol) against SARS-CoV-2 proteins
		Mpro	PLpro	Spro	RdRp	Helicase
1	Lurasidone	−8.4	−7.3	−8.1	−8.2	−9
2	Lurasidone sulfoxide	−9	−7.4	−8.1	−8.3	−9.3
3	Lurasidone endo	−8.2	−7.4	−7.7	−8.4	−9.3
4	Fananserin	−7.9	−6.6	−7.7	−8.1	−8.3
5	Lurasidone exo	−8.2	−6.8	−8.1	−8	−8.9
Ref	Indinavir	−7.7
Ref	Darunavir		−6.6
Ref	Arbidol			−6.1
Ref	Remdesivir				−7.4
Ref	Ivermectin					−9.5