Shandong Science ›› 2023, Vol. 36 ›› Issue (6): 38-47.doi: 10.3976/j.issn.1002-4026.2023.06.006
• Pharmacology and Toxicology • Previous Articles Next Articles
CHEN Chun1, QI Daqing2, PAN Jingwen1,*()
Received:
2023-02-20
Online:
2023-12-20
Published:
2023-12-07
CLC Number:
CHEN Chun, QI Daqing, PAN Jingwen. Clinical significance of stromal cell score in gastric cancer and intervention with Weifuchun capsules[J].Shandong Science, 2023, 36(6): 38-47.
Table 2
ADMET prediction of core constituents dissolved in blood"
脂水分配系数 | 极性表面积 | 溶解度 | 血脑屏障通透性 | 肠道吸收性 | 血浆蛋白结合率 | ||||
---|---|---|---|---|---|---|---|---|---|
水溶性 | 水平 | 评分 | 水平 | 水平 | 评分 | 水平 | |||
Sudachinoid A | 1.279 | 117.368 | -4.408 | 2 | — | 4 | 0 | -0.348 | TRUE |
橙桑黄酮F | 2.801 | 58.931 | -3.689 | 3 | -0.221 | 2 | 0 | -0.215 | TRUE |
熊果酸 | 5.397 | 60.832 | -7.567 | 1 | 0.552 | 1 | 0 | 2.680 | TRUE |
槲皮素 | 0.927 | 126.793 | -2.204 | 3 | — | 4 | 0 | -5.093 | FALSE |
异橙黄酮 | 3.054 | 70.881 | -4.282 | 2 | -0.332 | 2 | 0 | 2.959 | TRUE |
去甲基川陈皮素 | 2.812 | 91.696 | -4.002 | 2 | -0.736 | 3 | 0 | 2.757 | TRUE |
橙皮素 | 2.357 | 97.607 | -3.157 | 3 | -0.970 | 3 | 0 | -4.898 | FALSE |
香茶菜素U | 1.136 | 120.323 | -3.068 | 3 | — | 4 | 0 | -3.715 | FALSE |
香茶菜素O | 2.369 | 90.578 | -4.243 | 2 | -0.855 | 3 | 0 | 0.933 | TRUE |
异金雀花素B | 3.894 | 67.861 | -4.180 | 2 | -0.024 | 2 | 0 | 1.098 | TRUE |
蓝萼甲素 | 1.914 | 76.232 | -3.428 | 3 | -0.769 | 3 | 0 | -1.632 | TRUE |
Table 3
Scores of core constituents binding to targets (sorted by average score)"
靶点 | 核心入血成分 | 得分 | 靶点 | 核心入血成分 | 得分 |
---|---|---|---|---|---|
SERPINE1 (1A7C) | 香茶菜素U | 127.490 0 | FGF1 (1RGB) | 香茶菜素O | 84.677 2 |
槲皮素 | 124.679 0 | 香茶菜素U | 80.489 0 | ||
香茶菜素O | 123.846 0 | 去甲基川陈皮素 | 70.733 1 | ||
橙皮素 | 116.495 0 | TLR4 (2Z62) | 香茶菜素U | 109.480 0 | |
异橙黄酮 | 115.359 0 | 橙皮素 | 108.144 0 | ||
异金雀花素B | 115.265 0 | 香茶菜素O | 100.347 0 | ||
橙桑黄酮F | 115.029 0 | 异金雀花素B | 93.979 9 | ||
蓝萼甲素 | 111.475 0 | 橙桑黄酮F | 77.522 3 | ||
去甲基川陈皮素 | 107.939 0 | 去甲基川陈皮素 | 76.464 3 | ||
FGF1 (1RGB) | 熊果酸 | 91.647 7 | 异橙黄酮 | 72.309 3 | |
Sudachinoid A | 70.469 2 | VCAM1 (1VCA) | 橙皮素 | 112.504 0 | |
橙皮素 | 108.080 0 | 香茶菜素O | 105.116 0 | ||
异橙黄酮 | 106.455 0 | 香茶菜素U | 90.155 1 | ||
异金雀花素B | 88.554 2 | 异金雀花素B | 84.955 7 |
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