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. 2023 Dec 30;2023:2516233. doi: 10.1155/2023/2516233

Table 7.

Binding affinity of the phytocompounds against the target receptor of COVID-19 virus.

Sample no. Ligand Receptor-ligand complex Binding affinity (kcal/mol)
1 IMPHY002419 6LU7_IMPHY002419 −8.1
2 IMPHY003982 6LU7_IMPHY003982 −4.6
3 IMPHY003992 6LU7_IMPHY003992 −8.6
4 IMPHY005537 6LU7_IMPHY005537 −7.5
5 IMPHY006864 6LU7_IMPHY006864 −8.9
6 IMPHY006904 6LU7_IMPHY006904 −7.5
7 IMPHY011789 6LU7_IMPHY011789 −4.5
8 IMPHY012021 6LU7_IMPHY012021 −5.5
9 IMPHY012061 6LU7_IMPHY012061 −4.3
10 IMPHY012147 6LU7_IMPHY012147 −4.4
11 IMPHY012175 6LU7_IMPHY012175 −4.4
12 IMPHY014836 6LU7_IMPHY014836 −6.6
13 IMPHY014852 6LU7_IMPHY014852 −4.1
14 IMPHY014923 6LU7_IMPHY014923 −4.5
15 Native (N3) 6LU7_native −7.9
16 Remdesivir 6LU7_remdesivir −7.8

Bold value represents the highest affinity relative to the standard compound.