Table 4.
The related information of components docked with key targets.
| Gene | Component | PubChem CLD | Origin | Binding energy (kcal/mol) |
|---|---|---|---|---|
| KCNH2 | Jujubogenin | 15515703 | Semen | −4.85 |
| KCNH2 | Acacic acid lactone | 6712546 | Silktree Albizia Bark | −4.83 |
| KCNH2 | Stepharine | 98455 | Jujubae Fructus | −4.52 |
| KCNH2 | N-Methylasimilobine | 197017 | Semen | −4.29 |
| KCNH2 | Asimilobine | 160875 | Jujubae Fructus | −4.2 |
| KCNH2 | Cadaverine | 23335 | Semen | −4.16 |
| KCNH2 | Nuciferine | 10146 | Jujubae Fructus | −4.07 |
| KCNH2 | 7-Acetoxy-2-methylisoflavone | 268208 | Licorice | −4.02 |
| KCNH2 | (S)-Coclaurine | 160487 | Semen; Jujubae Fructus | −3.42 |
| KCNH2 | Juzirine | 3085285 | Semen | −3.02 |
| KCNH2 | (2S)-6-(2,4-Dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one | 637112 | Licorice | −2.96 |
| KCNH2 | Zizyphusine | 102063083 | Semen | −2.8 |
| KCNH2 | Senkyunone | 91726743 | Chuanxiong Rhizoma | −2.59 |
| KCNH2 | 25-Hydroxy-3-epidehydrotumulosic acid | 10368709 | Poria cocos (Schw.) | −2.09 |
| KCNH2 | Ethyl pentadecanoate | 38762 | Chuanxiong Rhizoma | −0.61 |
| KCNH2 | AP1 | 21119850 | Silktree Albizia Bark | 1.45 |
| TNNT2 | Kanzonols W | 15380912 | Licorice | −4.62 |
| TNNT2 | Glabridin | 124052 | Licorice | −4.02 |
| TNNT2 | Senkyunolide G | 5321250 | Chuanxiong Rhizoma | −3.23 |
| TNNT2 | Odoratin | 13965473 | Licorice | −3.05 |
| CALM1 | DFV | 114829 | Licorice | −4.21 |
| CALM1 | Licochalcone B | 5318999 | Licorice | −2.66 |
| SCN5A | Senkyunone | 91726743 | Chuanxiong Rhizoma | −1.59 |
The binding energy refers to the strength of the binding between the receptor and the ligand; the lower the binding energy, the more stable the docking module.