Table 1.
Results of the docking of CAFDs on the crystal structure of COVID-19 virus Mpro (6LU7)
| Ligand | MolDock Score | Protein-Ligand Interactions | Internal Ligand Interactions | H-Bond |
|---|---|---|---|---|
| Nelfinavir | -147.3800 | -171.698 | 22.284 | -6.8731 |
| Khaınaosıde C | -191.599 | -200.025 | 8.42644 | -27.1197 |
| Calceolarioside B | -191.295 | -192.449 | 1.15387 | -29.335 |
| Vitexfolin A | -186.282 | -195.849 | 9.56729 | -27.845 |
| Calceolarioside C | -178.554 | -230.49 | 51.9361 | -26.4726 |
| Scrophuloside B | -177.799 | -174.45 | -3.34965 | -13.1931 |
| Cynarin | -177.1841 | -207.737 | 30.5529 | -20.6951 |
| Eutıgosıde A | -167.291 | -178.443 | 11.1524 | -19.147 |
| Calceolarioside D | -165.78 | -173.156 | 7.37642 | -19.0178 |
| Robustaside D | -164.794 | -181.854 | 17.0598 | -31.946 |
| Chicoric acid | -162.6854 | -178.756 | 16.0706 | -18.3829 |
| Robustaside E | -161.535 | -177.951 | 16.4157 | -24.393 |
| Dodegranoside A | -157.933 | -192.633 | 34.6997 | -32.2933 |
| 6-O-Caffeoylarbutin | -156.602 | -166.442 | 9.84068 | -17.4251 |
| Khaınaosıde B | -155.284 | -185.867 | 30.5834 | -21.4445 |
| Calceolarioside A | -149.67 | -174.029 | 24.3592 | -24.5915 |
| Propyl 3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2- | -148.144 | -166.589 | 18.4446 | -11.8087 |
| Methyl (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoate | -145.999 | -165.943 | 19.944 | -10.591 |
| Dactylifric acid, | -134.2368 | -156.667 | 22.4302 | -19.4056 |
| Neochlorogenic acid | -130.0202 | -159.793 | 29.7728 | -21.9994 |
| Fertaric acid | -127.1668 | -144.398 | 17.2312 | -12.0719 |
| Prenyl caffeate acid | -122.69655 | -130.602 | 7.90545 | -5.00251 |
| Caftaric acid | -121.9308 | -145.024 | 23.0932 | -12.1007 |
| Chlorogenic acid | -119.6166 | -147.503 | 27.8864 | -14.8102 |
| Coutaric acid | -119.1713 | -136.215 | 17.0437 | -10.6761 |
| Caffeic acid | -91.5046 | -100.307 | 8.80237 | -12.4985 |
| p-Coumaric acid | -90.0385 | -98.9344 | 8.89594 | -6.95915 |
| Ferulic | -78.5495 | -83.6803 | 5.13082 | -4.9909 |