Table 6.

Phytochemicals screened against 3CL Pro as docking target and their binding energy. “x” represents the repurposed drugs used for reference.

S.no.	Phytochemical	Binding energy (Kcal. Mol−1)	References
1.	Epicatechin-(4β,8)-epicatechin-(4β,6)-catechin	−10.60	[93]
2.	Taiwanhomoflavone A	−9.60	[93]
3.	Quercetin 3-glucosyl-(1,4)-rhamnoside	−9.90	[93]
4.	Epicatechin-4-epigallocatechin	−10	[93]
5.	Lactucopicrin	−8.30	[93]
6.	Lactucopicrin 15-oxalate	−8.20	[93]
7.	Myricitrin	−8.90	[93]
8.	Vitetrifolin D	−7.30	[93]
9.	Kaempferol	−7.80	[93]
10.	Apigenin	−7.80	[93]
11.	(−)-Asperlicin C	−9.70	[93]
12.	Cassameridin	−9.30	[93]
13.	Oriciacridone F	−9.10	[93]
14.	Remdesivirx	−8.20	[93]
15.	Afzelin	−8.80	[93]
16.	Isoquercitrin	−8.20	[93]
17.	Amentoflavone	−9.28	[94]
18.	Glabrolide	−9.16	[94]
19.	Zeylanone	−9.12	[94]
20.	5,7,30,40-tetrahydroxy-2'-(3,3-dimethylallyl) isoflavone	−29.57	[95]
21.	Mirycitrin	−22.62	[95]
22.	Methyl rosmarinate	−20.62	[95]
23.	Amaranthin	−18.14	[95]
24.	Betulinic acid	−4.23	[63]
25	Nelfinavirx	−10.72	[96]
26.	Apigenine-7-glucoside	−7.83	[96]
27.	(E)-β-Farnesene	−27.56	[97]
28.	Epicatechin-gallate	−6.67	[96]
29.	Gingerol	−5.38	[96]
30.	Zingerol	−5.40	[96]
31.	Sugiol	−6.04	[63]
32.	Cryptotanshinone	−6.23	[63]
33.	N-cis-feruloyltyramine	−6.25	[63]
34.	Quercetin	−8.47	[96]
35.	Kaempferol	−8.58	[96]
36.	Lupinavir	−9.41	[96]
37.	α-Copaene	−20.08	[97]