Development and Evaluation of an Eco-Friendly Hand Sanitizer Formulation Valorized from Fruit Peels

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.