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. 2020 Aug 22;85:153310. doi: 10.1016/j.phymed.2020.153310

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