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