Table 5 HADDOCK score between identified polyphenols by LC–MS/MS with selected signalling protein molecules

3,5-Di-O-caffeoylquinic acid

9.6 ± 2.8

15.3 ± 6.7

-7.5 ± 2.5

25.7 ± 4.6

44.9 ± 5.1

23.8 ± 0.9

Caffeic acid

28.7 ± 6.4

37.7 ± 3.8

27.9 ± 3.0

41.7 ± 9.3

84.0 ± 5.2

59.7 ± 1.9

Caffeoyl-D-glucose

18.1 ± 2.2

29.2 ± 3.3

23.3 ± 1.3

34.3 ± 8.9

68.6 ± 9.1

41.2 ± 3.5

Catechin

18.1 ± 7.2

32.9 ± 1.2

25.5 ± 6.0

41.5 ± 2.9

73.1 ± 7.7

47.3 ± 4.7

Chicoric acid

1.7 ± 5.9

23.9 ± 7.2

2.9 ± 7.5

23.5 ± 14.6

58.6 ± 5.5

30.3 ± 10.5

Ferulic acid

24.4 ± 5.8

39.8 ± 4.4

31.8 ± 7.2

39.9 ± 5.3

98.1 ± 0.9

59.7 ± 3.5

Hydroxycinnamic acid

18.3 ± 1.0

43.7 ± 4.6

26.2 ± 8.2

42.4 ± 11.7

93.9 ± 12.7

60.9 ± 5.1

Kaempferol

18.0 ± 2.0

65.2 ± 4.9

46.0 ± 4.7

58.7 ± 12.7

99.3 ± 10.0

65.1 ± 4.7

Myricetin

6.0 ± 1.7

29.7 ± 3.1

22.4 ± 7.0

33.2 ± 5.6

73.6 ± 9.1

41.8 ± 4.7

Naringenin

-0.5 ± 9.7

34.0 ± 5.4

26.1 ± 5.4

45.8 ± 6.9

77.6 ± 19.3

44.1 ± 5.9

Phloroglucinol

38.6 ± 4.3

63.4 ± 4.0

42.9 ± 2.2

47.0 ± 13.6

96.3 ± 11.2

66.9 ± 7.0

Quercetin 3'-methyl ether 3-(4''-sulfatorutinoside)

16.7 ± 14.6

30.6 ± 2.5

2.8 ± 3.0

27.0 ± 6.8

55.9 ± 8.5

36.6 ± 7.4

Quercetin glucoside

-5.1 ± 5.6

24.7 ± 4.7

0.2 ± 2.6

22.0 ± 9.6

43.0 ± 8.9

13.3 ± 9.1

Quinic acid

26.2 ± 4.7

54.0 ± 5.5

27.6 ± 5.2

47.7 ± 3.3

93.5 ± 5.0

64.0 ± 4.2

Syringic acid

24.6 ± 5.8

50.9 ± 10.7

35.7 ± 8.7

45.4 ± 3.2

90.7 ± 21.6

66.2 ± 11.3

Xylopyranosyl quercetin

2.8 ± 4.3

21.3 ± 5.1

11.3 ± 2.3

29.3 ± 5.1

53.5 ± 12.8

26.7 ± 5.0