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Table 2 Binding affinity of compounds from antiviral plants when docked against nsp16

From: Molecular docking and pharmacokinetic studies of phytocompounds from Nigerian Medicinal Plants as promising inhibitory agents against SARS-CoV-2 methyltransferase (nsp16)

S/N Compounds Binding affinity (kcal/mol)
1. Compound 1 −5.9
2. 1-O-Caffeoylglycerol −6.8
3. 1-O-pCoumaric acid −6.1
4. compound 3 −5.9
5. Compound 4 −7.2
6. 5-dihydroxy-3-isopreyl flavones −7.4
7. 5′-hydroxymethyl-1′-(1,2,3,9-tetrahydro −6.7
8. compound 6 −6.0
9. Compound 9 −7.8
10. Compound 2 −7.4
11. Compound 14 −6.2
12. 3,4-dihydroxyclerodan-13E-en-15-0ic acid −7.0
13. 5,7-dihydroxy-3-isoprenyl flavones −7.7
14. 11,12-dimethyl sageone* 8.1
15. Anthocyanidin alkaloid −6.5
16. Benzene 1,1′-(oxydiethylidene) bis −5.9
17. Caffeic Acid −6.2
18. (4-methyl-1-phenyl)-1-phenyl Carbamic acid −5.8
19. B-phenethylamine −4.6
20. Vasicine −6.1
21. Vasicinol −6.4
22. Buphanidine −7.3
23. Vasicinone −6.7
24. Sterculic acid −4.9
25. Vittatine −7.2
26. Sanguinine −7.0
27. Securinine −6.7
28. Powelline −7.3
29. Asperuloside −7.4
30. Glabridin −7.8
31. Phyllantine −6.6
32. 8-O-demethylmaritidine −6.7
33. Oxopowelline* 7.9
34. Deacetylbowdensine* 8.0
35. Andrlycorine −7.2
36. Hypaphorine −6.3
37. 3,4-Epoxyclerodan-13E-en-15-oic acid −6.9
38. Andrograpanin −7.1
39. 5alpha,8alpha-(2-oxokolavenic acid) −6.5
40. Epibubbialine −6.3
41. Copalic acid −7.1
42. Dihydrolycorine −7.8
43. Galanthamine −6.5
44. Narwedine −7.1
45. Undulatine −7.2
46. Sageone* 8.1
47. Scafficinolide −6.8
48. Licochelcone A −7.3
49. Licochelcone E −7.0
50. Andrographolide* 7.9
51. Isobubbialine −6.0
52. Verticillatine A −5.9
53. Ellagi acid −7.8
54. Liquiritigerin −7.8
55. Lycorine −7.8
56. Oxokolavemic acid −7.1
57. p-Coumaric acid −5.3
58. Quercetin* 8.4
59. S-(+)-N b-methyltryptophan methyl ester −6.1
60. SFG# 7.9
  1. *Phytocompounds with the best binding affinity. #Reference compound