Research Article
Development and Evaluation of an Eco-Friendly Hand Sanitizer Formulation Valorized from Fruit Peels
Table 6
Binding affinity of the phytocompounds against the target receptor of influenza virus.
| Sample no. | Ligand | Receptor-ligand complex | Binding affinity (kcal/mol) |
| 1 | IMPHY002419 | 2HTU_IMPHY002419 | −7.2 | 2 | IMPHY003982 | 2HTU_IMPHY003982 | −4.8 | 3 | IMPHY003992 | 2HTU_IMPHY003992 | −8.4 | 4 | IMPHY005537 | 2HTU_IMPHY005537 | −7.6 | 5 | IMPHY006864 | 2HTU_IMPHY006864 | −7.8 | 6 | IMPHY006904 | 2HTU_IMPHY006904 | −8.1 | 7 | IMPHY011789 | 2HTU_IMPHY011789 | −4.6 | 8 | IMPHY012021 | 2HTU_IMPHY012021 | −7.8 | 9 | IMPHY012061 | 2HTU_IMPHY012061 | −5.5 | 10 | IMPHY012147 | 2HTU_IMPHY012147 | −5.3 | 11 | IMPHY012175 | 2HTU_IMPHY012175 | −4.9 | 12 | IMPHY014836 | 2HTU_IMPHY014836 | −6.6 | 13 | IMPHY014852 | 2HTU_IMPHY014852 | −5.4 | 14 | IMPHY014923 | 2HTU_IMPHY014923 | −5.1 | 15 | Peramivir | 2HTU_peramivir | −5.7 |
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Bold value represents the highest affinity and relative to the standard compound.
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