Molecular Docking and Dynamics Simulation of Several Flavonoids Predict Cyanidin as an Effective Drug Candidate against SARS-CoV-2 Spike Protein

Table 1

Active site residues of spike protein using the Site Finder module.

The binding site of spike protein	Size of polypeptides	Amino acid residues
1	32	Glu 340, Val 341, Ala 344, Thr 345, Arg 346, Phe 347, Ala 348, Asn 354, Arg355, Lys 356, Ser 399
2	20	Phe 342, Asn 343, Ala 344, Thr 345, Ser 371, Ala 372, Ser 373, Phe 374, Trp 436, Leu 441, Arg 509
3	16	Leu 335, Cys 336, Pro 337, Phe 338, Gly 339, Asn 343, Val 362, Ala 363, Asp 364, Tyr 365, Leu 368, Ser 371