Research Article
Integrated Molecular Docking with Network Pharmacology to Reveal the Molecular Mechanism of Simiao Powder in the Treatment of Acute Gouty Arthritis
Table 2
The affinity of the putative compounds with core targets.
| Compound | Affinity -TP53 (kcal/mol) | Affinity-FN1 (kcal/mol) | Affinity-ESR1 (kcal/mol) | Affinity-CDK2 (kcal/mol) | Affinity -HSPA5 (kcal/mol) |
| Dehydrotanshinone II A | −7.6 | −4.0 | −8.7 | −11.5 | −8.3 | 3β-acetoxyatractylone | −6.8 | −3.3 | −8.7 | −8.6 | −6.9 | baicalein | −6.6 | −4.0 | −8.4 | −8.7 | −9.7 | kaempferol | −6.4 | −3.9 | −8.3 | −8.4 | −8.8 | wogonin | −6.9 | −3.9 | −8.3 | −8.7 | −7.9 | quercetin | −6.5 | −3.9 | −8.1 | −8.8 | −8.2 | Phellopterin | −6.6 | −3.4 | −7.9 | −8.5 | −7.0 | phellamurin_qt | −7.4 | −3.8 | −7.2 | −9.4 | −7.8 | Mandenol | −4.3 | −1.6 | −7.1 | −6.4 | −4.2 | rutaecarpine | −8.3 | −4.2 | −7.0 | −10.5 | −9.6 | 2-Monoolein | −4.9 | −2.1 | −6.6 | −6.5 | −4.7 | Spinasterol | −7.9 | −3.8 | −6.5 | −9.1 | −8.3 | beta-sitosterol | −7.3 | −3.4 | −6.5 | −10.6 | −7.6 | Phellavin_qt | −7.1 | −3.7 | −6.2 | −9.5 | −7.7 | CLR | −7.0 | −3.2 | −6.1 | −9.9 | −8.1 | poriferast-5-en-3beta-ol | −7.6 | −3.1 | −6.1 | −9.9 | −7.0 | sitosterol | −6.8 | −3.1 | −6.0 | −10.2 | −7.7 | Stigmasterol | −7.8 | −3.9 | −5.9 | −9.8 | −8.1 | Sitosterol alpha1 | −7.2 | −3.6 | −5.6 | −9.8 | −8.4 | Fumarine | −7.4 | −3.9 | −5.5 | −9.5 | −8.9 | Chelerythrine | −7.6 | −3.6 | −5.5 | −10.4 | −8.2 | Worenine | −7.7 | −4.3 | −5.4 | −10.9 | −9.0 | poriferasta-7 | −7.1 | −3.5 | −5.3 | −10.4 | −7.6 | epiberberine | −6.8 | −3.8 | −5.1 | −9.4 | −8.6 | Cavidine | −6.9 | −3.9 | −4.9 | −8.7 | −8.1 | berberine | −7.3 | −3.8 | −4.8 | −9.6 | −8.0 | thalifendine | −6.8 | −4.0 | −4.7 | −9.6 | −8.3 | (S)-Canadine | −6.7 | −3.8 | −4.7 | −9.1 | −8.1 | berberrubine | −6.9 | −3.8 | −4.7 | −9.5 | −7.6 | Inophyllum E | −8.6 | −4.4 | −4.2 | −11.7 | −9.7 | coptisine | −7.4 | −4.0 | −4.2 | −10.1 | −8.9 | Isocorypalmine | −6.5 | −3.9 | −4 | −8.7 | −7.5 | palmatine | −6.5 | −3.6 | −3.6 | −8.8 | −7.2 |
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