Table 4.
Ligand Name | MolDock Score | Protein-Ligand Interactions | Internal Ligand Interactions | H-Bond |
---|---|---|---|---|
Nelfinavir | -148.747 | -176.89 | 28.1432 | -2.49896 |
Khaınaosıde C | -166.448 | -161.803 | -4.64496 | -8.71808 |
Khaınaosıde B | -165.435 | -193.843 | 28.408 | -9.1829 |
Calceolarioside B | -153.135 | -177.198 | 24.0631 | -11.6422 |
Calceolarioside C | -151.284 | -203.133 | 51.8485 | -15.5073 |
Calceolarioside D | -149.841 | -171.435 | 21.5938 | -6.20592 |
Eutıgosıde A | -144.298 | -150.757 | 6.45875 | -8.94751 |
Dodegranoside A | -142.831 | -161.943 | 19.1118 | -6.51745 |
Vitexfolin A | -142.604 | -173.882 | 31.278 | -12.4266 |
Chicoric acid | -141.566 | -164.796 | 23.2302 | -6.62961 |
Propyl 3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2- | -139.154 | -149.85 | 10.6965 | -6.13396 |
6-O-Caffeoylarbutin | -137.225 | -160.96 | 23.7351 | -9.99943 |
Cynarin | -133.964 | -180.052 | 46.0882 | -3.61595 |
Robustaside D | -133.688 | -139.895 | 6.20761 | -7.9848 |
Calceolarioside A | -133.035 | -170.659 | 37.6243 | -13.4663 |
Robustaside E | -132.278 | -154.031 | 21.7532 | -4.63369 |
Methyl (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoate | -129.816 | -140.552 | 10.7361 | -3.44702 |
Scrophuloside B | -129.274 | -159.233 | 29.959 | -5.75544 |
Neochlorogenic acid | -116.183 | -137.163 | 20.9802 | -8.85752 |
Dactylifric acid | -114.666 | -128.192 | 13.5263 | -5.90671 |
Fertaric acid | -111.217 | -123.587 | 12.3705 | -2.53938 |
Caftaric acid | -109.539 | -124.99 | 15.4504 | -9.02851 |
Prenyl caffeate acid | -109.296 | -118.722 | 9.42623 | -3.47987 |
Chlorogenic acid | -108.993 | -132.887 | 23.8942 | -8.6096 |
Coutaric acid | -103.861 | -113.724 | 9.86261 | -2.97925 |
p-Coumaric acid | -87.9961 | -96.8163 | 8.82013 | -4.60597 |
Caffeic acid | -85.3883 | -91.7692 | 6.38084 | -7.06512 |
Ferulic | -83.9251 | -89.969 | 6.04391 | -2.71179 |