Research Article
A Network Flow Approach to Predict Protein Targets and Flavonoid Backbones to Treat Respiratory Syncytial Virus Infection
Table 2
Prediction of effects of FLA compounds based on chemical structure.
| Molecules | | H-bond acceptors* | H-bond donors* | MV (g/mol)* | Mutagenic** | Tumorigenic** | Irritant** | Reproductive effect** |
| Resveratrol | 2.99 | 3 | 3 | 228.247 | High-risk | Low-risk | Low-risk | High-risk | Quercetin | 1.68 | 7 | 5 | 302.238 | High-risk | Medium-risk | Low-risk | Medium-risk | Apigenin | 2.46 | 5 | 3 | 270.24 | High-risk | Medium-risk | Low-risk | High-risk | Genistein | 2.27 | 5 | 3 | 270.24 | High-risk | High-risk | Low-risk | High-risk | Myricetin | 1.39 | 8 | 6 | 318.237 | High-risk | Low-risk | Low-risk | Low-risk | Tricetin | 1.68 | 5 | 7 | 302.238 | Low-risk | Low-risk | Low-risk | Low-risk |
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All parameters related to Lipinsky’s rule of five were obtained from Zinc database. **All toxicity risks were predicted by Osiris Property Explorer.
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