Table 3.

The results obtained from docking of Drugs with 1R42 in site 1.

Drugs	S score (kcal/mol)	RMSD (Å)	Bonds between atoms of compounds and residues of active site 1 of 1R42
			Atom of compound	Atom of receptor	Involved receptor residues	Type of interaction bond	Distance (Å)	E (kcal/mol)
Chloroquine	−6.1074	1.1063	N-1	O	H2O 932	H-acceptor	2.79	−1
Delapril	−6.9809	2.2570	O-31	OG	Ser 409	H-donor	3.08	−0.7
			O-24	O	H2O 932	H-acceptor	2.84	−1.3
			O-25	NE2	Gln 442		3.16	−1.7
			C-43	5-ring	His 374	H-pi	3.71	−1
			6-ring	O	H2O 932	pi-H	4.08	−1.2
Lisinopril	−6.6886	1.5417	O-5	O	H2O 932	H-donor	3.24	−0.6
Perindopril	−6.5856	1.1260	O-42	NE2	Gln 442	H-acceptor	3.3	−0.8
Piperaquine	−6.6531	3.2826	6-ring	CD	Pro 346	pi-H	4.35	−0.8
Ramiprilat	−6.6703	4.3112	O-46	O	H2O 1075	H-donor	2.98	−1.6
			O-51	OE1	Glu 406		2.9	−2.3
				O	H2O 1099		2.89	−1.1
			O-45	NE2	Gln 442	H-acceptor	3	−1
Trandolaprilat	−6.7507	1.4433	N-45	OE1	Gln 442	H-donor	3.09	−1.6