Table 2.

Molecular docking analysis of antiviral compounds against spike protein (6LZG) of SARS-CoV-2.

Protein	Compound	Binding Energy (Kcal/mol)	Amino acid residues
Spike Protein	Tegobuvir	−8.1	PRO337, ALA344, ARG355, ARG466, ASN343, PHE342, PHE347, PHE338, GLY339, GLU340, VAL341
	Bromocriptine	−7.7	ASN450, LEU452, ILE468, TYR351, ALA352, SER349, LYS356, GLU340, ASN354, VAL341, THR345, ARG346, PHE347, ALA348, SER349
	Baicalin	−7.6	ASN450, ARG346, ALA344, PHE342, GLU340, VAL341, SER399, ASN354, TRP353, ARG466, ILE468, ALA352, PHE400, PHE347
	Deleobuvir	−7.6	ARG466, TRP353, ASN354, PRO463, PHE464, PRO426, TYR396, GLU516, ARG355
	Dantrolene	−7.6	TYR351, ALA352, ASN354, SER399, LYS356, ALA348, SER349, LEU452, ASN450 ARG346, PHE347, ALA344, VAL341, PHE342, GLU340
	Cassameridine	−7.4	ARG355, PHE464, PRO463, TYR396, GLU516, SER514, PRO426, PHE515, PHE429, ASP428, PRO426
	Chrysin-7-O-glucuronide	−7.4	LYS356, ASN354, ALA352, TYR351, SER349, ASN450, ARG346, ALA344, GLU340, PHE347, ALA348, PHE400, SER399, VAL341
	Conivaptan	−7.4	PHE464, GLU465, ARG466, AG355, ASN354, TRP353, ALA352
	Phaitanthrin D	−7.2	PRO463, PHE464, ARG355, TYR396, SER514, THR430, PHE515, GLU516
	Telmisartan	−7.2	ILE468, ARG466, ASN354, PHE347, ARG346, ALA352, ARG355, LYS356, TYR396, ARG357
	Troglitazone	−7.2	ARG466, GLU465, PRO463, PHE464, TRP353, ARG355, PRO426, ASP428, PHE429, THR430, SER514, TYR396, PHE515, GLU516
	Raltegravir	−7.1	ALA352, SER349, ALA348, PHE347, ASN354, SER399, ARG346, ALA344, GLU340, VAL341, ARG357, LYS356, ARG355
	Ceferoperazone	−7.1	LEU452, TYR451, ASN450, SER349, ARG346, PHE347, ALA344, ALA352, TRP353, SER399, ASN354, VAL341, GLU340, ARG355, LYS356, ARG477, PHE347, ALA344
	Dasatinib	−7.0	ARG357, LYS356, TYR396, ARG355, ARG346, PHE347, ALA348, ASN450, TYR451, SER349, ALA332, TYR351, ILE468. ARG466, TRP353, ASN354, SER349
	Dolutegravir	−7.0	ARG355, TYR396, PHE515, SER514, GLU516, THR430, PHE429, PRO426, PRO463, GLU465, ARG466, TRP353, PHE464