Table 5.

The dock score of screened phytochemicals binding at the active site of the SGp-RBD and their important interactions with various amino acid residues.

Phytochemicals	B.E. (kcal/mole)	Important interactions at active site of glycosylation (ASN330, TYR356) and ACE2 binding sites (residues 438 to 527)
Maslinic acid	−9.3	Hydrogen bond: ASP454, SER456, GLY464; Pi-Alkyl: HIS445, PHE460, ARG444, PRO477, VAL458; Alkyl: PRO466; VDW: LEU443, ARG441, LYS465.
Glycyrrhizic acid	−9.3	Hydrogen bond: PHE360, ARG426, ASN427, TRP423, THR333, SER363; VDW: TYR356, ASN357, SER358, PHE361, SER362, ILE489, GLN492, ASN424, THR359, THR425, ARG495, ILE428, ASN330, ALA332.
Corosolic acid	−9.4	VDW: ASN330, PHE334, ALA331, PHE329, ARG495, TRP423, THR425, THR359, SER358, PHE360, ASN424, ASN427, TYR356, ILE428, THR332.
2-Hydroxyseneganolide	−9.2	Hydrogen bond: TRP423, VDW: ASN330, PHE329, THR359, THR425, ASN427, ASN424, SER358, TYR356, ASN357, THR332, ALA331, ARG495
Oleanane	−9.0	VDW: THR332, ALA331, TYR356, ASN330, PHE329, ARG495, TRP423, THR359, ASN424, PHE360, SER358, ASN427, THR425.
Gedunin	−8.2	Hydrogen bond: GLY368; VDW: ASP415, ASP414; Pi-Pi T-shaped: PRO399, LYS365, ALA398.