|
| 指数 |
中医的候选人 |
DHFR对接得分 |
TS对接得分 |
|
| 1 |
三磷酸腺苷 |
226.6790 |
186.2170 |
| 2 |
甲基6-O-digalloyl-beta-D-glucopyranoside (2) |
162.6260 |
154.1730 |
| 3 |
甲基4,6-di-O-galloyl-beta-D-glucopyranoside |
153.7500 |
148.2880 |
| 4 |
甲基6-O-digalloyl-beta-D-glucopyranoside |
151.7650 |
158.0350 |
| 5 |
甘露三糖 |
129.7870 |
114.6030 |
| 6 |
Forsythiaside |
129.6030 |
27.9940 |
| 7 |
Isoacteoside |
124.5900 |
30.6190 |
| 8 |
Rehmannioside B |
119.9930 |
79.2920 |
| 9 |
Rehmannioside一 |
116.4330 |
71.3970 |
| 10 |
棉子糖 |
115.4940 |
134.2120 |
| 11 |
Cistanoside C |
112.4270 |
- - - - - - |
| 12 |
甲基3,3,6-tri-O-galloyl-beta-D-glucopyranoside |
109.9470 |
20.7830 |
| 13 |
水苏糖 |
107.0940 |
8.5760 |
| 14 |
绿原酸 |
103.8080 |
- - - - - - |
| 15 |
Jionoside D |
103.5050 |
39.3430 |
| 16 |
Isochlorogenic酸 |
102.9470 |
- - - - - - |
| 17 |
Jionoside C |
102.3940 |
- - - - - - |
| 18 |
芦丁 |
101.1310 |
78.816 |
| * |
MTX |
97.0960 |
- - - - - - |
| * * |
MTX-PGs |
- - - - - - |
69.671 |
|
|
