Research Article
Molecular Docking and Dynamics Simulation of Several Flavonoids Predict Cyanidin as an Effective Drug Candidate against SARS-CoV-2 Spike Protein
Table 2
Physiochemical parameters of the selected 6 flavonoids predicted by using SwissADME.
| Parameters | Mass (<500) | Hydrogen bond donor (<5) | Hydrogen bond acceptor (<10) | LogP (<5) | Molar refractivity (40–130) |
| 4′-O-Methyl diplacol | 454.51 | 4 | 7 | 4.32 | 126.51 | Mimulone | 408.49 | 3 | 5 | 4.80 | 118.85 | Neobavaisoflavone | 322.35 | 2 | 4 | 3.74 | 95.69 | Malvidin | 331.30 | 4 | 7 | 0.71 | 87.13 | Cyanidin | 287.24 | 5 | 6 | 0.56 | 76.17 | Tomentin E | 472.53 | 4 | 8 | 3.24 | 126.24 |
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