Table 3.

Binding energy of WS phytochemicals against protein targets of SARS-CoV-2 and its host cells.

Phytochemical	Target Protein	PDB ID	Binding Energy (Kcal/mol)
Sitoindoside IX	Mpro	6LU7	−8.37
Withaferin A	ACE2-RBD	6M17	−9.1
Withaferin A	GRP78	5E84	−8.7
Withaferin A	Mpro	6LU7	−9.83
Withanolide A	ACE2-RBD	6M17	−9.6
Withanolide B	ACE2-RBD	6M17	−9.4
Withanone	ACE2-RBD	6M17	−9.4
Withanoside II	Mpro	6LU7	−11.3
Withanoside IV	Mpro	6LU7	−11.02
Withanoside V	Mpro	6LU7	−8.96