Table 1.

The values of binding affinity (kcal/mol) of molecular docking between various targets of SARS-CoV-2 and all selected phyto-compounds with comparison to reference compounds.

Sr. No.	Ligand	Source Plant	PubChem ID	Chemical Group	Binding affinity (kcal/mol)
					6M71 (RNA polymerase)	6LU7 (Main Protease/3CLpro)
1	Andrographolide	Andrographis paniculata	5318517	Diterpenoid	−6.3	−6.5
2	Hydro andrographolide		72191643	Diterpenoid	−6.3	−6.1
3	Iso andrographolide		101563021	Diterpenoid	−6.3	−6.1
4	Neo andrographolide		9848024	Diterpenoid	−7.0	−6.5
5	Oxo andrographolide		101593061	Diterpenoid	−7.1	−6.9
6	Mulberroside A	Morus alba	6443484	Phenols	−9.1	−6.4
7	Mulberroside C		190453	Phenols	−8.1	−6.3
8	Mulberroside E		10030502	Phenols	−9.0	−7.0
9	Mulberroside F		60208818	Phenols	−8.8	−6.7
10	Mimusopic acid	Mimusops elengi	6712545	Triterpene	−6.5	−6.2
11	Glycyrrhizin	Glycyrrhiza glabara	46783814	Triterpenoid	−7.1	−5.3
12	Curcumin	Curcuma longa	969516	Phenols	−7.0	−5.2
13	Nimbidinin	Azardirachta indica	101306757	Triterpene	−7.1	−5.7
14	Nimbolide		86287562	Triterpene	−7.8	−5.3
15	Emblicanin A	Phyllanthus emblica	119058016	Tannins	−9.2	−5.7
16	Emblicanin B		119058017	Tannins	−7.8	−3.9
17	Punigluconin		44631480	Tannins	−8.7	−6.5
18	Chebulic acid	Terminalia chebula	12302892	Phenols	−6.3	−6.5
19	Arjunolic acid	Terminalia arjuna	73641	Triterpenoid	−7.3	−5.4
20	Anolignan A	Terminalia bellerica	72391	Lignan	−7.0	−6.5
21	Anolignan B		72388	Lignan	−6.0	−6.5
22	Anolignan C		454714	Lignan	−6.0	−6.5
23	Remdesivir (RdRp)	–	121304016		−7.5	−5.1
24	Thymoquinone	–	10281		−5.6	−5.1
25	Hydroxychloroquine	–	3652		−5.2	−5.7
26	Favipiravir	–	492405		−5.2
27	Darunavir(Main Protease/3CLpro)	–	213039		–	−5.9
28	Nelfinavir	–	64143		–	−5.8

Bold values signifies higher binding affinity as compared to reference drug.