Table 4.

Results of the docking of CAFDs on the crystal structure of SARS-CoV-2 spike ectodomain structure (open state) (6VYB).

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