Table 3.

Binding interactions of different Saikosaponins with the active site of SARS-CoV-2 spike glycoprotein (PDB ID: 6VSB).

Sr. No.	Ligand	Interaction (PDB-6VSB)
		H-Bonding	Hydrophobic Pocket
1	Saikosaponin U	Phe 346, Ser 402, Asn 271, Glu 257, Asp 345	Trp 270, Pro 343, Phe 346, Gly 348, Phe 403, Leu 405, Phe 371, Tyr 313
2	Saikosaponin V	Phe 346, Ser 402, Thr 460, Ile 475, Asp 459, Thr 461, Phe 403, Gly 298	Val 299, Leu 307, Phe 346, Phe 403, Leu 405, Phe 429, Leu 434, Ile 475, Pro 477
3	Saikosaponin C	Phe 403, Asp 345, Lys 341, Glu 372	Val 299, Tyr 313, Tyr 338, Leu 342, Pro 343, Phe 346, Pro 370, Phe 371, Phe 403, Leu 405
4	Saikosaponin K	Phe 403, Ser 402, Glu 404 Asp 345	Tyr 313, Leu 342, Pro 343, Phe 346, Pro 370, Phe 371, Phe 403, Leu 405
5	Saikosaponin R	Thr 460, Ile 475, Ala 458, Thr 435	Val 299, Leu 304, Leu 307, Leu 405 Leu 434, Phe 346, 429, Ile 475, Pro 477, Tyr 497, Gly 298, Ala 458, Ile 457