序号

化合物

靶点名称

PDB ID

结合能(kcal/mol)

31

(25R)-diosgenin

RAGE

4lp4

−7.90

30

dracaenogenins B

RAGE

4lp4

−6.88

13

10-hydroxy-11-methoxydracaenone

RAGE

4lp4

−6.12

20

7,4'-dihydroxyflavone

RAGE

4lp4

−5.34

27

2'-methoxysocotrin-5'-ol

RAGE

4lp4

−5.29

22

broussin

RAGE

4lp4

−5.02

17

7,4'-dihydroxy-8-methoxyhomoisoflavane

RAGE

4lp4

−5.01

18

7,4'-dihydroxyhomoisoflavane

RAGE

4lp4

−4.87

19

7,4'-dihydroxy-5-methoxyhomoisoflavane

RAGE

4lp4

−4.87

14

7,4'-dihydroxy-5-methoxyhomoisoflavanone

RAGE

4lp4

−4.79

21

liquiritigenin

RAGE

4lp4

−4.78

11

pterostilbene

RAGE

4lp4

−4.60

29

homoisosocotrin-4ʹ-ol

RAGE

4lp4

−4.59

15

5,7,4'-trihydroxylhomoisoflavanone

RAGE

4lp4

−4.42

2

loureirin B

RAGE

4lp4

−4.31

10

resveratrol

RAGE

4lp4

−4.30

12

3,4'-dihydroxy-5-methoxystilbene

RAGE

4lp4

−4.27

16

7,4'-dihydroxy-8-methoxyhomoisoflavanone

RAGE

4lp4

−4.20

7

cambodianol

RAGE

4lp4

−4.17

28

(2R)-8-methylsocotrin-4'-ol

RAGE

4lp4

−4.07

1

loureirin A

RAGE

4lp4

−3.97

23

cochinchinenin A

RAGE

4lp4

−3.96

3

loureirin C

RAGE

4lp4

−3.86

8

cambodianin A

RAGE

4lp4

−3.75

6

4,4' -dihydroxy-2, 6-dimethoxydihydrochalcone

RAGE

4lp4

−3.65

4

loureirin D

RAGE

4lp4

−3.34

5

2,4'-dihydroxy-4,6-dimethoxydihydrochalcone

RAGE

4lp4

−3.32

24

cochinchinenin B

RAGE

4lp4

−3.10

9

cambodianin B

RAGE

4lp4

−2.81

25

cochinchinenin C

RAGE

4lp4

−2.20

26

cinnabarone

RAGE

4lp4

−1.88