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 |