[关键词]
[摘要]
目的 筛选银杏叶提取物中治疗痛风的活性化合物,构建活性化合物-靶标-通路网络,并阐述银杏叶提取物治疗痛风的潜在作用机制。方法 建立银杏叶成分-靶点相互作用的随机森林预测模型,对银杏叶化学成分进行靶点预测,然后构建和分析银杏叶“成分-靶点-痛风”复杂网络。结果 在已发现的银杏叶的158个化合物中,以类药性(DL)≥0.18和口服生物利用度(OB)≥30为条件,筛选出39个活性化合物,其中包括11个黄酮类化合物和11个萜类化合物;银杏叶中有24个活性化合物所对应的靶点与痛风中49个致病基因相关,揭示了银杏叶中活性成分与相关靶点的分子作用机制。结论 银杏叶中的活性化合物可能通过3种方式治疗痛风:减少尿酸的产生、增加尿酸的排泄、抑制NALP3炎症引起的紊乱。
[Key word]
[Abstract]
Objective To screen the active compounds of Ginkgo Folium extrat (GFE) used in the treatment of gout to build network of compounds-target-pathway, and to elaborate the potential mechanism of GFE in the treatment of gout. Methods The G. biloba compound-target interaction model was established by random forest algorithm, which was then applied to predict the potential targets interacted with compounds of G. biloba. The complicated compound-target-disease network of G. biloba was then constructed and analyzed. Results Among the 158 compounds found in G. biloba, with (drug-likeness) DL≥0.18 and (oral bioavailability) OB≥30 as a filter condition, 39 active compounds were screened, including 11 flavonoids and 11 terpenes. There are 24 active compounds in G. biloba, which correspond to the 49 pathogenic genegenes of gout and reveal the molecular mechanism of G. biloba in the active ingredient and related targets. Conclusion Active compounds in G. biloba may cure gout through the following three ways: First, to minimize the production of uric acid; Secondly, to increase the excretion of uric acid; Thirdly, to inhibit disorders induced by NALP3 inflammation.
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[基金项目]
大连市科技计划项目(2014E12SF065)