Table 6.

The results obtained from docking of Drugs with 6M0J in site 2.

Drugs	S score (kcal/mol)	RMSD (Å)	Bonds between atoms of compounds and residues of active site 2 of 6M0J
			Atom of compound	Atom of receptor	Involved receptor residues	Type of interaction bond	Distance (Å)	E (kcal/mol)
Chloroquine	−5.4920	2.3627	C-45	5-ring	His 401	H-pi	4.25	−0.9
Delapril	-8.1604	1.5603	O-26	ZN	Zn 901	metallic	2.13	−3.6
			Zn-901	NE2	His 374		2.4	−3.2
					His 378		2.27	−5.7
				OE1	Glu 402		2.1	−5.6
				NE2	His 378	ionic	2.27	−11.7
				OE1	Glu 402		2.1	−14.4
				OE2	Glu 402		3.13	−3.7
Enalapril	−6.7570	2.6763	O-14	ZN	Zn 901	metallic	2	−2.5
			Zn-901	NE2	His 374		2.4	−3.2
				NE2	His 378		2.27	−5.7
				OE1	Glu 402		2.1	−5.6
				NE2	His 378	ionic	2.27	−11.7
				OE1	Glu 402		2.1	−14.4
				OE2	Glu 402		3.13	−3.7
			C-52	5-ring	His 378	H-pi	3.88	−1
Hydroxychloroquine	−6.3125	1.8513	O-2	OE2	Glu 375	H-donor	2.86	−1.9
			O-2	ZN	Zn 901	metallic	2	−2.6
			Zn-901	NE2	His 374		2.4	−3.2
				NE2	His 378		2.27	−5.7
				OE1	Glu 402		2.1	−5.6
				NE2	His 378	ionic	2.27	−11.7
				OE1	Glu 402		2.1	−14.4
				OE2	Glu 402		3.13	−3.7
			C-47	5-ring	His 378	H-pi	4.12	−0.6
Lisinopril	−6.6966	1.9981	O-5	O	H2O 1004	H-donor	2.97	−2
			O-1	ZN	Zn 901	metallic	2.06	−2.3
			Zn-901	NE2	His 374		2.4	−3.2
				NE2	His 378		2.27	−5.7
				OE1	Glu 402		2.1	−5.6
				NE2	His 378	ionic	2.27	−11.7
				OE1	Glu 402		2.1	−14.4
				OE2	Glu 402		3.13	−3.7
			6-ring	N	Ile 291	pi-H	3.98	−1.1
ORE-1001	−6.2755	2.5319	N-6	OH	Tyr 515	H-acceptor	3.09	−2.1
			O-25	ZN	Zn 901	metallic	2.09	−2.3
			O-31	ZN	Zn 901		2.31	−0.9
			Zn-901	NE2	His 374		2.4	−3.2
				NE2	His 378		2.27	−5.7
				OE1	Glu 402		2.1	−5.6
				NE2	His 378	ionic	2.27	−11.7
				OE1	Glu 402		2.1	−14.4
				OE2	Glu 402		3.13	−3.7
Perindopril	−6.7968	2.2965	O-23	O	Glu 398	H-donor	2.84	−3.1
			N-26	OE1	Glu 402		3.11	−1.4
			C-46	OE2	Glu 375		3.49	−0.6
			O-16	O	H2O 1033	H-acceptor	2.86	−1.9
			O-25	NH2	Arg 514		2.91	−1.9
			O-42	ZN	Zn 901	metallic	1.97	−2.9
			Zn-901	NE2	His 374		2.4	−3.2
				NE2	His 378		2.27	−5.7
				OE1	Glu 402		2.1	−5.6
				NE2	His 378	ionic	2.27	−11.7
				OE1	Glu 402		2.1	−14.4
				OE2	Glu 402		3.13	−3.7
Ramipril	−7.6305	2.4853	O-53	ZN	Zn 901	metallic	2.13	−1.7
			O-58	ZN	Zn 901		2.44	−1.4
			Zn-901	NE2	His 374		2.4	−3.2
				NE2	His 378		2.27	−5.7
				OE1	Glu 402		2.1	−5.6
				NE2	His 378	ionic	2.27	−11.7
				OE1	Glu 402		2.1	−14.4
				OE2	Glu 402		3.13	−3.7
Ramiprilat	−7.1864	1.7252	O-45	Zn	Zn 901	metallic	1.94	−2.9
			Zn-901	NE2	His 374		2.4	−3.2
				NE2	His 378		2.27	−5.7
				OE1	Glu 402		2.1	−5.6
				NE2	His 378	ionic	2.27	−11.7
				OE1	Glu 402		2.1	−14.4
				OE2	Glu 402		3.13	−3.7
Trandolapril	−7.1160	1.9818	O-1	O	H2O 1030	H-acceptor	3.04	−1
			O-4	ZN	Zn 901	metallic	2.07	−3.8
			Zn-901	NE2	His 374		2.4	−3.2
				NE2	His 378		2.27	−5.7
				OE1	Glu 402		2.1	−5.6
				NE2	His 378	ionic	2.27	−11.7
				OE1	Glu 402		2.1	−14.4
				OE2	Glu 402		3.13	−3.7
			6-ring	CA	Glu 398	pi-H	3.63	−0.6