Table 2.
Results of the docking of CAFDs on the crystal structure of Nsp15 endoribonuclease (6VWW).
Ligand | MolDock Score | Protein-Ligand Interactions | Internal Ligand Interactions | H-Bond |
---|---|---|---|---|
Nelfinavir | -148.413 | -176.918 | 28.5042 | -6.24452 |
6-O-Caffeoylarbutin | -171.541 | -192.585 | 21.0444 | -21.747 |
Dodegranoside A | -168.82 | -189.321 | 20.5011 | -20.0539 |
Calceolarioside B | -164.77 | -178.002 | 13.2327 | -16.1947 |
Scrophuloside B | -163.023 | -188.728 | 25.7045 | -17.7 |
Calceolarioside A | -157.557 | -191.866 | 34.3089 | -22.6471 |
Calceolarioside D | -157.531 | -176.714 | 19.1827 | -13.5793 |
Robustaside D | -152.212 | -166.649 | 14.4366 | -13.1528 |
Vitexfolin A | -151.664 | -174.554 | 22.8901 | -14.0706 |
Eutıgosıde A | -150.42 | -173.682 | 23.2626 | -14.3851 |
Robustaside E | -150.175 | -181.359 | 31.1841 | -20.7424 |
Chicoric acid | -149.662 | -165.153 | 15.4907 | -9.06476 |
Propyl 3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2- | -148.42 | -160.41 | 11.9901 | -11.2875 |
Khaınaosıde B | -146.216 | -159.431 | 13.2149 | -18.838 |
Khaınaosıde C | -144.449 | -169.295 | 24.8469 | -14.338 |
Calceolarioside C | -143.258 | -190.29 | 47.0315 | -26.9485 |
Methyl (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoate | -136.959 | -151.082 | 14.1226 | -7.66985 |
Cynarin | -136.239 | -168.638 | 32.3994 | -9.84515 |
Dactylifric acid | -124.395 | -135.853 | 11.4586 | -11.8072 |
Chlorogenic acid | -117.22 | -146.224 | 29.004 | -19.2892 |
Fertaric acid | -115.811 | -131.072 | 15.2609 | -10.3567 |
Neochlorogenic acid (NCHL) | -114.913 | -140.215 | 25.3017 | -13.8222 |
Prenyl caffeate acid | -113.339 | -118.376 | 5.03646 | -9.94435 |
Coutaric acid | -112.946 | -123.273 | 10.3278 | -9.20319 |
Caftaric acid | -110.286 | -130.278 | 19.9917 | -13.6044 |
p-Coumaric acid | -90.4353 | -98.5634 | 8.12807 | -7.41811 |
Caffeic acid | -86.1121 | -92.4587 | 6.34661 | -7.61903 |
Ferulic acid | -78.5357 | -83.0275 | 4.49178 | -4.65339 |