| 靶点基因 | 栀子成分 | 亲和力(kcal/mol) |
| CDKN1A | chrysin | −5.0 |
| quercetin | −5.7 | |
| ursolic acid | −6.2 | |
| CDKN2A | quercetin | −6.8 |
| DPP4 | (1S,4aS,5R,7S,7aS)-5,7-dihydroxy-7-methyl-1-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta(d)pyran-4-carboxylic acid | −6.8 |
| 3-Methylkempferol | −7.2 | |
| 5-hydroxy-7-methoxy-2-(3,4,5-trimethoxyphenyl)chromone | −7.7 | |
| Ammidin | −7.1 | |
| chrysin | −8.4 | |
| kaempferol | −7.8 | |
| methyl(1S,4aS,5R,7S,7aS)-5,7-dihydroxy-7-methyl-1-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta(d)pyran-4-carboxylate | −6.9 | |
| quercetin | −8.0 | |
| Sudan III | −9.4 | |
| EGFR | quercetin | −5.4 |
| HIF1A | quercetin | −8.9 |
| HMOX1 | geniposide | −7.3 |
| kaempferol | −7.7 | |
| oleanolic acid | −9.1 | |
| quercetin | −8.2 | |
| HSPA5 | quercetin | −7.7 |
| HSPB1 | quercetin | −9.2 |
| IFNG | quercetin | −7.5 |
| MAPK1 | quercetin | −8.9 |
| NFE2L2 | quercetin | −6.2 |
| NQO1 | oleanolic acid | −10.6 |
| quercetin | −8.8 | |
| PTGS2 | 3-Methylkempferol | −9.3 |
| 5-hydroxy-7-methoxy-2-(3,4,5-trimethoxyphenyl)chromone | −8.5 | |
| Ammidin | −8.9 | |
| beta-sitosterol | −9.2 | |
| chrysin | −9.5 | |
| crocetin | −8.3 | |
| isoimperatorin | −9.0 | |
| kaempferolol | −9.3 | |
| Mandenol | −5.7 | |
| quercetin | −9.7 | |
| PTGS2 | Stigmasterol | −9.8 |
| Sudan III | −10.3 | |
| syringaresinol | −8.6 | |
| ursolic acid | −9.8 | |
| RB1 | quercetin | −8.5 |
| STAT3 | ursolic acid | −8.0 |
| TP53 | quercetin | −8.3 |
| ursolic acid | −10.1 |