Research Article
Integrated Molecular Docking with Network Pharmacology to Reveal the Molecular Mechanism of Simiao Powder in the Treatment of Acute Gouty Arthritis
Table 1
Active compounds and their number of targets of SMP.
| No. | Source | ID | Compound | OB | DL | Number |
| 1 | Huangbo, Niuxi | MOL000098 | quercetin | 46.43 | 0.28 | 138 | 2 | Niuxi | MOL000422 | kaempferol | 41.88 | 0.24 | 55 | 3 | Cangzhu, Niuxi | MOL000173 | wogonin | 30.68 | 0.23 | 41 | 4 | Niuxi | MOL002714 | baicalein | 33.52 | 0.21 | 33 | 5 | Huangbo | MOL000790 | Isocorypalmine | 35.77 | 0.59 | 31 | 6 | Huangbo, Niuxi | MOL000358 | beta-sitosterol | 36.91 | 0.75 | 28 | 7 | Huangbo | MOL001455 | (S) -Canadine | 53.83 | 0.77 | 28 | 8 | Huangbo, Niuxi, Yiyiren | MOL000449 | Stigmasterol | 43.83 | 0.76 | 27 | 9 | Huangbo | MOL002670 | Cavidine | 35.64 | 0.81 | 24 | 10 | Huangbo | MOL000787 | Fumarine | 59.26 | 0.83 | 22 | 11 | Huangbo | MOL002651 | Dehydrotanshinone II A | 43.76 | 0.4 | 18 | 12 | Cangzhu | MOL000188 | 3β-acetoxyatractylone | 40.57 | 0.22 | 17 | 13 | Huangbo, Niuxi | MOL000785 | palmatine | 64.6 | 0.65 | 16 | 14 | Huangbo | MOL002662 | rutaecarpine | 40.3 | 0.6 | 14 | 15 | Huangbo, Niuxi | MOL001454 | berberine | 36.86 | 0.78 | 14 | 16 | Huangbo | MOL006422 | thalifendine | 44.41 | 0.73 | 12 | 17 | Huangbo | MOL002894 | berberrubine | 35.74 | 0.73 | 11 | 18 | Huangbo | MOL002644 | Phellopterin | 40.19 | 0.28 | 9 | 19 | Niuxi | MOL002897 | piberberine | 43.09 | 0.78 | 9 | 20 | Huangbo, Niuxi | MOL001458 | coptisine | 30.67 | 0.86 | 8 | 21 | Huangbo | MOL001131 | phellamurin_qt | 56.6 | 0.39 | 7 | 22 | Niuxi | MOL003847 | Inophyllum E | 38.81 | 0.85 | 6 | 23 | Huangbo | MOL002668 | Worenine | 45.83 | 0.87 | 6 | 24 | Yiyiren | MOL001323 | Sitosterol alpha1 | 43.28 | 0.78 | 5 | 25 | Huangbo | MOL002666 | Chelerythrine | 34.18 | 0.78 | 5 | 26 | Yiyiren | MOL000953 | CLR | 37.87 | 0.68 | 3 | 27 | Niuxi | MOL004355 | Spinasterol | 42.98 | 0.76 | 3 | 28 | Huangbo | MOL002663 | Skimmianin | 40.14 | 0.2 | 3 | 29 | Yiyiren | MOL000359 | sitosterol | 36.91 | 0.75 | 3 | 30 | Niuxi | MOL001006 | poriferasta-7 | 42.98 | 0.76 | 3 | 31 | Huangbo | MOL002641 | Phellavin_qt | 35.86 | 0.44 | 3 | 32 | Yiyiren | MOL001494 | Mandenol | 42 | 0.19 | 3 | 33 | Huangbo | MOL001771 | poriferast-5-en-3beta-ol | 36.91 | 0.75 | 2 | 34 | Huangbo | MOL000622 | Magnograndiolide | 63.71 | 0.19 | 2 | 35 | Cangzhu | MOL000184 | NSC63551 | 39.25 | 0.76 | 1 | 36 | Huangbo, Niuxi | MOL002643 | delta 7-stigmastenol | 37.42 | 0.75 | 1 | 37 | Huangbo | MOL005438 | campesterol | 37.58 | 0.71 | 1 | 38 | Cangzhu, Niuxi | MOL000085 | beta-daucosterol_qt | 36.91 | 0.75 | 1 | 39 | Yiyiren | MOL008121 | 2-Monoolein | 34.23 | 0.29 | 1 | 40 | Niuxi | MOL012461 | 28-norolean-17-en-3-ol | 35.93 | 0.78 | 1 |
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