Research Article
Development and Evaluation of an Eco-Friendly Hand Sanitizer Formulation Valorized from Fruit Peels
Table 5
Binding affinity of the phytocompounds against the target receptor of pneumonia virus.
| Sample no. | Ligand | Receptor-ligand complex | Binding affinity (kcal/mol) |
| 1 | IMPHY002419 | 2WAF_IMPHY002419 | −10.7 | 2 | IMPHY003982 | 2WAF_IMPHY003982 | −5.2 | 3 | IMPHY003992 | 2WAF_IMPHY003992 | −9.1 | 4 | IMPHY005537 | 2WAF_IMPHY005537 | −8.5 | 5 | IMPHY006864 | 2WAF_IMPHY006864 | −8.5 | 6 | IMPHY006904 | 2WAF_IMPHY006904 | −8.5 | 7 | IMPHY011789 | 2WAF_IMPHY011789 | −5 | 8 | IMPHY012021 | 2WAF_IMPHY012021 | −5.6 | 9 | IMPHY012061 | 2WAF_IMPHY012061 | −5 | 10 | IMPHY012147 | 2WAF_IMPHY012147 | −5.1 | 11 | IMPHY012175 | 2WAF_IMPHY012175 | −5.2 | 12 | IMPHY014836 | 2WAF_IMPHY014836 | −8.7 | 13 | IMPHY014852 | 2WAF_IMPHY014852 | −5.1 | 14 | IMPHY014923 | 2WAF_IMPHY014923 | −5.2 | 15 | L-Amoxicillin | 2WAF_L-amoxicillin | −8.6 | 16 | Penicillin-G | 2WAF_penicillin-G | −7 | 17 | Cefprozil | 2WAF_cefprozil | −8.1 |
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Bold value represents the highest affinity and relative to the standard compound.
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