Table 2.

Binding residues and types of interactions of BSAAs with SARS-CoV-2 proteins.

S.NO	Proteins	Binding energies	Drug name	Interacting residues
1	Spike	−9.1 kcal/mol	Imatinib	TYR: 451, ASN: 440, ASN:450, GLU: 484, GLY:485, ASP: 442, ILE: 468, SER: 469, THR: 470, GLU: 471, ILE: 472
		−9.7 kcal/mol	Suramin	ASN: 440, LEU: 441, ARG: 346, TYR: 451, THR: 345, PHE: 347, ASN: 439, ASP: 442, SER: 443, LYS: 444, ASN: 448, ASN: 450, PRO: 499, ARG: 509
2	RdRp	−12 kcal/mol	Glycyrrhizin	TYR: 619, ASN: 691, ASP: 760, ASP: 761, LYS: 798, GLU: 811, SER: 814, ILE: 589, ALA: 688, TRP: 617, CYS: 622, SER: 682, THR: 687, TYR: 689, SER:759, TRP: 800, PHE: 812, CYS: 813
		−8.8 kcal/mol	Imatinib	ALA: 797, CYS: 799, GLU:802, GLU: 811, HIS: 810, ASP: 706, ASP:761, GLU: 811, ASP: 618, LEU: 758, GLU: 796, LYS: 798, TRP: 800, THR: 801, CYS: 813, SER: 814
3	Mpro	−9.0 kcal/mol	Verdinexor	LEU:27, HIS: 41, MET: 49, CYS: 145, MET: 165, THR: 26, GLN: 189, SER: 46, THR: 25, LEU: 27, VAL: 42, TYR: 54, ASN: 142, HIS: 164, GLU: 166, ASP: 187, ARG: 188
		−8.5 kcal/mol	Imatinib	ARG: 40, VAL: 186, CYS: 145, GLY:183, GLN: 192, HIS: 41, ASN: 84, CYS: 85, GLY: 179, ASN: 180, PHE: 181, PRO: 184, PHE: 185, ARG: 188, ALA:193
4	Helicase	−11.6 kcal/mol	Suramin	ASN: 179, ASN: 516, ASP: 539, ARG: 560, TYR: 515, ARG: 560, PRO: 175, ARG: 178, TYR: 180, MET: 378, PRO: 406, PRO: 408, ARG: 409, THR: 410, LEU: 412, THR: 416
		−10.7 kcal/mol	Glycyrrhizin	ASN: 179 ASN: 516 ARG: 560, ASN: 177, ARG: 178, PRO: 406, PRO: 408, THR: 416, LEU: 417, ASN: 519, THR: 532, ASP: 534, SER: 535, ASN: 557