Table 1.

The best predicted energy values of hesperetin and hesperidin with proteins related to SARS-CoV2.

		c-Docker Energy Value (kcal/mol)	Residues	Distance (Å)	Types
ACE2	HT	−34.81	Ala348	1.9	H-bond (H34, O)
			Asp382	2.76	CH-bond (H31, OD1)
			Glu398	2.42	H-bond (H36, O)
				2.44	CH-bond (HA, O21)
			Glu402	2.23	H-bond (HN, O20)
	HD	−1.65	Asp206	2.97/2.97	CH-bond (H52, OD2)/(H54, OD2)
			Thr347	2.74	CH-bond (HA, O14)
			Ala348	2.66	H-bond (H73, O)
			Glu375	2.02/2.17	H-bond (H74, OE1)/(H75, OE1)
			Asp382	2.09	H-bond (HD2, O9)
				2.59	CH-bond (H57, OD1)
			Glu398	2.57	CH-bond (H52, OE1)
			His401	2.76	p-s
			Glu402	2.69	CH-bond (H65, OE1)
			Arg514	4.78	p-cation
TMPRSS2	HT	−30.56	Lys254	3.92	p-cation
			Gly378	2.15	H-bond (H67, O)
	HD	−7.2	His203	4.81	p-alkyl
			Lys254	1.94	H-bond (HZ1, O15)
				1.75	H-bond (HZ3, O14)
				4.08	p-cation
				2.65	CH-bond (HE1, O6)
			Glu301	2.68/2.74	H-bond
					(H72, O)/(H71, OE2)
				2.47	CH-bond (H56, OE2)
PLpro	HT	−13.69	Asp165	2.98	CH-bond (H31, OD2)
			Pro248	4.97	p-alkyl
	HD	17	Leu163	2.28	H-bond (H77, O)
			Gly164	5.21	Amide-π stracked
			Asp165	2.96	p-anion
			Glu168	2.94	H-bond (H71, OE2)
			Pro249	2.64	CH-bond (HD2, O6)
			Tyr265	5.47	p-p T shaped
			Gln270	2.44	CH-bond (H60, OE1)
				2.31	Unfavorable donor-donor
					(HE22, H75)
3CLpro	HT	−17.94	Phe140	1.94	H-bond (H34, O)
			Asn142	2.96	H-bond (HD21, O18)
			Glu166	2.75	H-bond (H34, OE1)
				3.07	p-cation
			Gln189	2.19	H-bond (HE22, O21)
	HD	6.21	His41	2.34	H-bond (HE2, O15)
				4.6	p-alkyl
			Asn142	2.63	CH-bond (H46, OD1)
				2.81/2.85	H-bond (HN, O2)/(HD21, O3)
			Gly143	2.8	H-bond (HN, O14)
			Cys145	2.27	H-bond (HG, O15)
			Met165	5.17	Alkyl
			Glu166	2.47/2.69	CH-bond (H61, O)/(H59, O)
				1.95	H-bond (H73, O)