Table 2.

Details of docking results using LIGPLOT program

Ligands	3CLpro		ACE2		PLpro		RBD
	H-bond Donor/acceptor	H-bond Interactions (Interacting residues)	H-bond Donor/acceptor	H-bond Interactions (Interacting residues)	H-bond Donor/acceptor	H-bond Interactions (Interacting residues)	H-bond Donor/acceptor	H-bond Interactions (Interacting residues)
Glecaprevir	2	His 80	2	Thr 78	3	Asn 1552	5	Arg 457
		Ser 81				His 818		Arg 454
								Ile468
Simeprevir	–	–	2	Thr 196	1	Glu 819	3	Arg 454
				Gln 98				Glu 471
Ledipasvir	2	Thr 26	6	Gln 98	3	Ser 20	1	Lys 458
		Ser 46		Asn 194		Gln 168
				Tyr 19		Glu 815
				Ser 105
				Tyr 202
				Asp 350
Paritaprevir	1	Lys 5	1	Lys 94	2	Lys 945 Asn 1552	1	Phe 490
Glycyrrhizic acid	7	Gln 189	14	Thr 196	7	Glu 487	11	Arg 457
		His 164		Glu 208		Ser 925		Asp 467
		Glu 166		Glu 87		Ser 1560		Ile 488
		His 163		Asn 194		Asp 924		Cys 480
		Ser 144		Gln 101		Arg 1546		Gly 482
		Asn 142		Glu 87		Thr 1456		Ser 469
		Asn 119		Asn 397				Glu 411
				Glu 402				Arg 454
				His 401
				Asp 382
				Ala 348
				Ser 47
				Ser 43
				Gly 395
Hesperidin	6	Gln 110	19	Gln 208	6	Gln 168	9	Phe 456
		Thr 111		Gly 205		Glu 177		Ile 472
		Arg 105		Gln 98		Gln 180		Arg 454
		Asp 295
				Asn 194		Asn 79		Arg 457
				Asn 103				Asp 467
				Gln 101				Ile 468
				His 195				Gln 474
				Thr 196				Phe 456
				Asn 394				Ile 472
				Glu 402
				His 401
				Asp 382
				Ala 348
				Ser 47
				Ser 43
				Gly 395
TMC-310911	2	Glu 166	8	Gly 205	1	Gln 168	4	Lys 458
		Thr 26		Lys 562				Gln 474
				Gln 98				Arg 457
				Asp 382				Asp 467
				His 401
				Asn 394
				Gly 395
				Tyr 385
				Phe 390