Table 2.
Binding affinities (kcal/mol) of selected biomolecules against four target proteins: acetylcholinesterase (AChE), cytochrome c oxidase (COX), heat shock protein 90 (Hsp90) and odorant receptor 3 (ODR3).
| Biomolecules | Binding affinity (kcal/mol) of biomolecules against target proteins | |||
|---|---|---|---|---|
| AchE | COX | Hsp90 | ODR3 | |
| 3-Hydroxy-3-methylglutarate | − 5.6 | − 6 | − 5.5 | − 5.5 |
| 3-Phenylpropionate | − 5.7 | − 6.1 | − 5.9 | − 6.2 |
| 4-Pyridoxate | − 5 | − 6.6 | − 5 | − 6.3 |
| Pyridoxine | − 5 | − 6.6 | − 5 | − 6.3 |
| Riboflavin | − 7.8 | − 7.2 | − 7.1 | − 7.3 |
| Methionine | − 4 | − 4.9 | − 4.5 | − 4.8 |
| Glycylproline | − 5.1 | − 6.4 | − 5.3 | − 5.3 |
| UDP-N-Acetylglucosamine | − 8.3 | − 6.2 | − 7.8 | − 7.4 |
| Carbofuran | − 6.8 | − 7.7 | − 6.2 | − 6.6 |
| Fluopyram | − 8.2 | − 10 | − 7 | − 7 |